N-Methylformamide

HCID 31254CAS 123-39-7

기본 정보

표준 SMILES
CNC=O
InChIKey
ATHHXGZTWNVVOU-UHFFFAOYSA-N
분자식
C2H5NO
평균 분자량
59.07 g/mol
단동위원소 질량
59.03711378

이름 및 식별자

우선 이름
N-Methylformamide
IUPAC
N-methylformamide
현지명
노르말메틸포름아미드
영어명
N-Methylformamide
분자식
C2H5NO
분자량
59.07

이름 및 동의어

N-METHYLFORMAMIDE123-39-7MethylformamideFormamide, N-methyl-MonomethylformamideN-Monomethylformamiden-methyl-FormamideNSC 3051EK 7011Formic acid amide, N-methyl-X 188XPE4G7Y986
이름 더 보기
N-메틸폼아마이드N-메틸포르마미드노르말메틸포름아미드N-메틸포름아미드NMFN-MethylmethanamideN-FORMYLMETHYLAMINEx188ek7011
DTXSID0025608NSC3051NSC-3051CHEBI:7438formylmethylamineFormamide, N-methylRefChem:830717DTXCID905608

데이터베이스 식별자

CAS
123-39-7
PubChem CID
31254
DTXSID
DTXSID0025608
ChEMBL
CHEMBL9240
ChEBI
CHEBI:7438
UNII
XPE4G7Y986
EC Number
204-624-6
Nikkaji
J2.498H

물성

구조 계산 물성

XLogP
-1
극성 표면적
29.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
4

실험 및 물리화학적 성질

LogP · 3건

log Kow = -0.97

-0.97

-0.0624

Density · 4건

1.011 at 66 °F (NTP, 1992) - Denser than water; will sink

0.9961 g/cu cm @ 25 °C

Density (at 20 °C): 1.003 g/cm³

0.9961 @25 °C

Viscosity1.99 mN/s/m @ 15 °C; 1.65 mN/s/m @ 25 °C
Solubility · 6건

greater than or equal to 100 mg/mL at 68 °F (NTP, 1992)

Very soluble in acetone, ethanol.

Miscible in water

1000 mg/mL at 25 °C

Solubility in water: good

Water miscible

Flash Point · 3건

208 °F (NTP, 1992)

98 °C

98 °C c.c.

Boiling Point · 3건

356 to 365 °F at 760 mmHg (NTP, 1992)

180-185 °C

182.5 °C

물리화학적 성질

녹는점
-4 °C · -4 °C (lit.)
끓는 점
198 · 198-199 °C (lit.)
밀도
1.011 g/mL · 1.011 g/mL at 25 °C (lit.)
증기압
20 Pa · 20Pa at 20℃
굴절률
20 · n20/D 1.432(lit.)
인화점
230 °F · >230 °F
화학적 성질 · 1건

N-methylformamide is a clear colorless liquid with a slight amine odor. It is a water-soluble organic solvent. As an adjuvant antineoplastic agent, N-methylformamide depletes cellular glutathione, a key molecule involved in the antioxidation of reactive oxygen species (ROS) and other free radicals, thereby enhancing ionizing radiation-induced DNA cross-linking in and terminal differentiation of tumor cells. (NCI04)

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H312: Harmful in contact with skin [Warning Acute toxicity, dermal];H360D ***: May damage the unborn child [Danger Reproductive toxicity]

P203, P280, P302+P352, P317, P318, P321, P362+P364, P405, and P501 (click each P-code to see the statement)

Danger

유해성 정보

Regulatory Information · 4건

Chemical: Formamide, N-methyl-

Hazard Traits - Reproductive Toxicity;Authoritative List - EC Annex VI CMRs - Cat. 1B;Report - if used as a fragrance or flavor ingredient

Status: Active Update: 29-10-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/6092;Status: Active Update: 24-02-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/12311;Status: Active Update: 11-11-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/7551

Methylformamide: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Formamide, N-methyl-: Environment tier I assessment;IMAP assessments - Formamide, N-methyl-: Human health tier I assessment
Fire Hazards · 2건

This chemical is combustible. (NTP, 1992)

Combustible.

Fire PotentialA very dangerous fire hazard when exposed to heat or flame.
Health Hazards · 1건

SYMPTOMS: Symptoms of exposure to this compound include irritation of the mucous membranes and upper respiratory tract. Other symptoms include liver damage, eye irritation with discomfort, tearing or blurring of vision, skin irritation with discomfort or rash, abnormalities of liver function with jaundice, temporary nervous system depression with anesthetic effects such as dizziness, headache, confusion, incoordination and loss of consciousness.;ACUTE/CHRONIC HAZARDS: This compound may be absorbed through the skin and cause skin irritation. It may also irritate the eyes, mucous membranes and upper respiratory tract. When heated to decomposition it emits toxic fumes of carbon monoxide, carbon dioxide and nitrogen oxides. (NTP, 1992)

Hazards Summary · 1건

An eye irritant; May cause liver injury; [ICSC] TLV Basis: Embryo/fetal injury; teratogenic effects; liver injury; A more recent phase I study using oral administration of NMF found elevated hepatic enzymes, mild myelosuppression and worsening of preexistent toxic peripheral neuropathies at 700 mg/m2 (227 mg/kg); [ACGIH] An eye irritant; May cause liver injury; Peripheral neuropathy has been observed in patients during clinical trials; Teratogenic and embryotoxic; Emergency treatment: Dimethylformamide; [HSDB] An eye, mucous membrane, and upper respiratory tract irritant; Can be absorbed through skin; May cause temporary nervous system depression and liver damage; [CAMEO] Irritating to rabbit eyes; Dramatically reduced body weights and increased liver enzymes in 2-week inhalation study of rats at highest dose (970 mg/m3); In rats fed by gavage, over 50% of fetuses malformed at the highest dose tested (75 mg/kg/day), a maternally toxic dose; Similar results obtained in study of rabbits; [EPA HPV] Causes hepatitis in five-day, intermittent, intravenous study of dogs; [RTECS] Embryotoxic in animals at doses maternally toxic; [REPROTOX] An irritant; [Alfa Aesar MSDS] See Dimethylformamide.

안전 및 보호

Fire Fighting · 2건

Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (NTP, 1992)

Use powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4건

Fresh air, rest. Refer for medical attention.

Rinse skin with plenty of water or shower.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Rest. Refer for medical attention .

First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

Safe StorageSeparated from oxidants.
Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.;STORAGE PRECAUTIONS: You should store this material under ambient temperatures and keep away from oxidizers. (NTP, 1992)

Disposal Methods · 1건

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

독성 정보

Body Burden · 1건

The concn of N-methylformamide in urine was 7.7 mg/l and 23.3 mg/l before shift and after shift, respectively, for workers exposed to N,N-dimethylformamide at a synthetic leather factory(1). N-Methylformamide is a metabolite of N,N-dimethylformamide(1).

Interactions · 4건

SIMULTANEOUS TREATMENT OF PREGNANT RATS AND MICE WITH SODIUM NITRITE (0.5-0.75% IN DRINKING WATER ON DAYS 11-15 OF GESTATION) AND N-METHYLUREA, N,N'-DIMETHYLUREA OR N,N,N-TRIMETHYLUREA (1000, 1000 OR 500 MG/KG IP, RESPECTIVELY, ON DAY 11 OR 13 OF GESTATION) PRODUCED THE SAME TERATOGENIC EFFECTS AS TREATMENT WITH THE NITROSYLATED HOMOLOGS OF THESE METHYLUREAS. TREATMENT OF RATS WITH SODIUM NITRITE & N-METHYLFORMAMIDE PRODUCED GREATER TERATOGENIC EFFECTS THAN TREATMENT WITH N-ALKYL CARBOXYLIC ACID AMIDE ALONE.

N-METHYLFORMAMIDE (1.8 G/KG IV) DECR HYPERTENSION INDUCED BY INDIRECTLY ACTING AMINES TYRAMINE & EPHEDRINE.

Admin of NMF on 4 consecutive days enhanced the sleeping time caused by pentobarbital in male rats to 565% of controls & reduced to a moderate extent the activities of rat hepatic cytochrome P-450 & cytochrome c reductase.

Like dimethylformamide NMF or its metabolites appear to interact with the metab of ethanol. Admin of 2 or 20 mmol/kg NMF to rats 3 or 18 hr before ethanol (both orally) induced an elevation in blood acetaldehyde levels. In the case of high doses of NMF admin 18 hr before alcohol, the level of ethanol in the blood was also raised significantly over controls.

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 7(SRC), determined from a log Kow of -0.97(2) and a regression-derived equation(3), indicates that N-methylformamide is expected to have very high mobility in soil(SRC). Volatilization of N-methylformamide from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.0X10-8 atm-cu m/mole(SRC), derived from its vapor pressure, 0.25 mm Hg(4), and water solubility, 1.0X10+6 mg/l(5). N- Methylformamide is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.25 mm Hg(4). N-methylformamide has been shown to biodgrade by microorgansism obtained through soil enrichment(6), suggesting that N-methylformamide may biodegrade in soil(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 7(SRC), determined from a log Kow of -0.97(2) and a regression-derived equation(3), indicates that N-methylformamide is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 2.0X10-8 atm-cu m/mole(SRC), derived from its vapor pressure, 0.25 mm Hg(4), and water solubility, 1.0X10+6 mg/l(5). According to a classification scheme(6), an estimated BCF of 3(SRC), from its log Kow(2) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). N-Methylformamide, present at 400 mg/l, reached 4%, 98%, and 100% of its theoretical BOD in 3 hrs, 3 days, and 7 days, respectively, using an industrial activated sludge inoculum and the Zahn-Wellens test(8). Using the BOD test, N-methylformamide achieved 2% of its theoretical BOD after 5 days(8), suggesting that N-methylformamide may biodegrade in the aquatic environment(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), N-methylformamide, which has a vapor pressure of 0.253 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere(SRC). Vapor-phase N-methylformamide is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 57 hours(SRC), calculated from its rate constant of 6.8X10-12 cu cm/molecule-sec at 25 °C(SRC) determined using a structure estimation method(3).

Adverse Effects · 1건

Neurotoxin - Acute solvent syndrome;Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.;Reproductive Toxin - A chemical that is toxic to the reproductive system, including defects in the progeny and injury to male or female reproductive function. Reproductive toxicity includes developmental effects. See Guidelines for Reproductive Toxicity Risk Assessment.

Exposure RoutesThe substance can be absorbed into the body by inhalation, through the skin and by ingestion.
Signs and Symptoms · 2건

Cough.

Redness. Pain.

규제 정보

Regulatory Information · 4건

Chemical: Formamide, N-methyl-

Hazard Traits - Reproductive Toxicity;Authoritative List - EC Annex VI CMRs - Cat. 1B;Report - if used as a fragrance or flavor ingredient

Status: Active Update: 29-10-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/6092;Status: Active Update: 24-02-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/12311;Status: Active Update: 11-11-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/7551

Methylformamide: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
LQ3000000
독성
LD50 in mice (mg/kg): 2300 i.p.; 2600 orally; 1580 i.v.; 2700 i.m. (Langdon)
HS 번호
29241990
risk_code
61-21-R61-R21

화학 및 산업

약리 정보

Mechanism of Action · 1건

The mechanism by which NMF causes hepatotoxicity is currently under investigation. Evidence is accumulating which suggests that a reactive metabolite of NMF is involved. In vitro NMF was cytotoxic only at concns in the 0.1 M range whereas the maximum NMF concn in the plasma of animals which showed evidence of hepatotoxicity was below 0.01 M. The hypothesis that a reactive metabolite is formed which might be responsible for NMF-induced hepatotoxicity is supported by the following findings: 1) NMF caused the depletion of hepatic glutathione levels in vivo, & in hepatocytes in vitro; 2) an NMF metabolite (or metabolites) was covalently bound to liver microsomal protein; & 3) pretreatment of mice with cysteine or N-acetylcysteine protected against NMF-induced hepatotoxicity. Liver mitochondria may be a target for the reactive metab, as NMF has been shown to inhibit the ability of mouse liver mitochondria to sequester calcium ions when a hepatotoxic dose was admin ip.

Metabolism/Metabolites · 3건

It is known that dimethylformamide is metabolized in man by sequential N-demethylation to methylformamide & formamide, which are largely eliminated in the urine.

In mice, NMF is metabolized mainly to carbon dioxide, which is exhaled with the breath, & to methylamine, which is excreted with the urine. Of the radioactivity injected with [C14]formyl-NMF (400 mg/kg), 39% was exhaled as carbon dioxide. The amount of the drug excreted unchanged in the urine in mice was only 26% & 15% of the dose was metabolized to methylamine. A mercapturate, N-acetyl-S-(N-methylcarbamoyl)cysteine was identified as a major metabolite of NMF in the urine of mice, rats, & patients. Formation of the novel metabolite involves oxidation of the formyl moiety & subsequent conjugation with glutathione. On GLC analysis of the urine of mice which had received NMF, small amounts of formamide were also detected. Some evidence suggests that this metabolite was actually N-hydroxy-methylformamide, the immediate product of N-methyl-C-hydroxylation of NMF, & not formamide. N-Hydroxymethylformamide, like N-hydroxymethyl-N-methylformamide, the principal metabolite of dimethylformamide, is thermally labile & breaks down to give formamide & formaldehyde; but it is stable in aqueous soln. In alkaline soln N-hydroxymethylformamide undergoes facile hydrolysis. Only 14% of the radioactivity injected with [C14]methyl-NMF was exhaled as labeled carbon dioxide. Formate was not a urinary metabolite of NMF in mice.

N-methylformamide has known human metabolites that include Methyl Isocyanate.

MeSH Pharmacological Classification · 2건

Substances that inhibit or prevent the proliferation of NEOPLASMS.

Drugs used to potentiate the effectiveness of radiation therapy in destroying unwanted cells.

Absorption, Distribution and Excretion · 2건

8 healthy male subjects were exposed to dimethylformamide vapor at a concn of 8.79 + or - 0.33 ppm for 6 hr/day for 5 consecutive days. All urine voided by the subjects was collected from the beginning of the first exposure to 24 hr past the end of the last exposure & each sample was analyzed for monomethylformamide. Monomethylformamide was rapidly eliminated from the body with urine values peaking within a few hr following the end of each exposure period. The mean for the 7 hr (end of exposure) sample was 4.74 ug/ml urine or 736.8 ug.

Dimethylformamide reached an average level of 2.8 mg/l in the blood of subjects exposed to 21 ppm of the vapor for 4 hr, & was undetectable at 4 hr after the exposure; the metabolite, methylformamide, averaged between 1 & 2 mg/l in the blood & this level was maintained for at least 4 hr after exposure. Maximal blood levels of about 14 & 8 mg/l were observed for dimethylformamide & methylformamide, respectively, at 0 & 3 hrs, after a 4 hr exposure to 87 ppm of the vapor. Repeated daily exposures to 21 ppm of dimethylformamide did not result in accumulation of the chemical or its metabolite in blood. /Dimethylformamide and methylformamide/

용도 및 제조

Uses · 4건

Used to make pesticides and methyl isocyanate and as an extraction solvent for aromatic hydrocarbons; [HSDB] Photodegradation product of Fluridone (herbicide) and metabolite of dimethylformamide (CAS# 68-12-2); [REPROTOX]

Farming (Pesticides) [Category: Industry]

The substance is used as an intermediate in the synthesis of pesticides; extraction solvent for aromatic hydrocarbons.

In the manufacture of methyl isocyanate.

Methods of Manufacturing · 2건

BY HEATING THE METHYLAMINE SALT; OR BY REACTION OF METHYLAMINE WITH METHYL OR ETHYL FORMATE

Methyl formate + methylamine (amide formation)

General Manufacturing InformationFormamide, N-methyl-: ACTIVE
응용 분야 · 2건

용도N-Methylformamide is used in amidation or transamidation chemical reactions where formamide is insufficient.

일반 설명N-Methylformamide (NMF), a formamide derivative, is widely employed as an organic solvent. NMF molecule contains C=O and N-H groups, so it can act as a proton donor and acceptor. Due to its important physical properties such as high dielectric constant, high solubility, low conductivity and amphiprotic nature, it is suitable for use as a separation medium in capillary electrophoresis studies.NMF is closely related to other formamides, notably formamide and dimethylformamide (DMF). However, industrial use and production of NMF are far less than for either of these other formamides. DMF is favored over NMF as a solvent due to its greater stability. Annual production of NMF can be assumed to be significantly less than the production of either formamide (100,000 tons) or DMF (500,000 tons).

제조 방법 · 1건

생산 방법N-Methylformamide (NMF) can be synthesized by: (1) reacting methylamine, carbon monoxide, methanol and a small amount of potassium acetate at 250 atm and 160°C; (2) heating methylamine with carbon monoxide and some sodium ethoxide in ethanol at 150 atm; (3) treating methylformate with methylamine and methanol; (4) reacting hexamethylenetetramine with formamide and hydrogen in the presence of Raney nickel at 130-145°C (Beilstein's Handbuch, 1977).

공급사50 곳

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科瑞迪化学400-821-5857 021-64326257 · [email protected]

추가 설명

정의ChEBI: N-methylformamide is a member of the class of formamides having a N-methyl substituent. It is functionally related to a formamide.

관련 반응

140건

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