ジエチルカルバミン酸 クロリド

Diethylcarbamoyl chloride

HCID 6916CAS 88-10-8

基本情報

標準SMILES
CCN(CC)C(=O)Cl
InChIKey
OFCCYDUUBNUJIB-UHFFFAOYSA-N
分子式
C5H10ClNO
平均分子量
135.59 g/mol
単同位体質量
135.04509162

概要

structure

名称と識別子

優先名称
Diethylcarbamoyl chloride
IUPAC
N,N-diethylcarbamoyl chloride
現地名
ジエチルカルバミン酸 クロリド
英語名
Diethylcarbamyl chloride
分子式
C5H10ClNO
分子量
135.59

名称と別名

DIETHYLCARBAMOYL CHLORIDE88-10-8Diethylcarbamyl chlorideN,N-Diethylcarbamoyl chlorideCarbamic chloride, diethyl-Diethylcarbamic chlorideDiethylchloroformamideCarbamoyl chloride, diethyl-N,N-DiethylchloroformamideCarbamidoyl chloride, diethyl-DTXSID0052598Diethylamid kyseliny chlormravenci
名称をさらに表示
ジエチルカルバミン酸 クロリドN,N-ジエチルカルバモイルクロリドジエチルクロロホルムアミドジエチルカルバミド酸クロリドジエチルカルバモイルクロリドN,N-ジエチルカルバミド酸クロリドN,N'-ジエチルカルバミン酸クロリドN,N-ジエチルクロロホルムアミドジエチルバルバモイル クロライドN,N-ジエチルカルバモイルクロライド塩化ジエチルカルバミルN,N’-ジエチルカルバミン酸クロリドジエチルカルバミルクロリドジエチルカルバモイル=クロリドDECCC5H10ClNON, 97.0%(GC&TN, 97.0%(GC&T)Diethylcarbamyl chlodiethyl-carbamicchlorid
5RIV1U6H5WCarbamic chloride, N,N-diethyl-NSC-223067DTXCID1031171RefChem:133482201-798-5N,N-Diethylcarbamyl chlorideN,N-diethylcarbamic chloride

データベース識別子

CAS
88-10-8
PubChem CID
6916
DTXSID
DTXSID0052598
ChEMBL
CHEMBL3559788
UNII
5RIV1U6H5W
EC Number
201-798-5
Nikkaji
J33.934B

物性

構造計算による物性

XLogP
1.4
極性表面積
20.3 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
2
重原子数
8

実験および物理化学的性質

Chemical Classes · 2 件

Toxic Gases & Vapors -> Acid Halides

Flammable agents - 2nd degree

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Color/FormLiquid
SolubilitySOL IN WATER
Flash Point · 2 件

163 - 172 °C

325-342 °F (OPEN CUP)

Boiling Point186 °C

物理化学的性質

融点
32 °C · −32 °C(lit.)
沸点
117 · 117-123 °C133 mm Hg(lit.)
比重(密度)
1.07 g/mL · 1.07 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.451(lit.)
闪点
167 °F · 167 °F
貯蔵温度
2 · Inert atmosphere,2-8°C

化学的性質

化学的特性clear yellow to brownish liquid

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 19-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19790

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Hazards Summary · 1 件

A skin, eye, and respiratory tract irritant; Harmful by ingestion and inhalation; [eChemPortal: ESIS] Intraperitoneal LD50 (mouse) = 750 mg/kg; [HSDB] Reacts violently with water; An irritant; [MSDSonline] Could be carcinogenic for man but not conclusive because of insufficient data; [MAK] See Dimethyl carbamoyl chloride.

NFPA Hazard Classification · 4 件

2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.

1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur.

2 - Materials that readily undergo violent chemical changes at elevated temperatures and pressures.

W - No water: Materials that react violently or explosively with water.

Toxic Combustion ProductsWHEN HEATED TO DECOMP, EMITS HIGHLY TOXIC FUMES OF /CHLORIDE AND NITROGEN OXIDES/.
Hazard Classes and Categories · 4 件

Acute Tox. 4 (100%)

Carcinogenicity - category 2

Flammable agents - 2nd degree, Reactive agents - 2nd degree

Carc. 2

Hazardous Reactivities and IncompatibilitiesREACTS WITH WATER OR STEAM TO PRODUCE TOXIC & CORROSIVE FUMES.

安全と保護具

Disposal Methods · 1 件

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.

毒性情報

Adverse EffectsToxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.
Human Toxicity ExcerptsSTUDY OF PERSONS EXPOSED TO DIETHYLCARBAMOYL CHLORIDE & DIMETHYLCARBOMYL CHLORIDE FOR 4-10 YR SHOWED A STATISTICALLY INSIGNIFICANT NUMBER OF CHROMOSOME ABERRATIONS WHEN COMPARED TO UNEXPOSED CONTROL GROUPS.
Non-Human Toxicity Excerpts · 2 件

AUTORADIOGRAPHIC IDENTIFICATION OF UNSCHEDULED DNA SYNTH (UDS) IN CULTURES OF RAT HEPATOCYTES PROPOSED AS PREDICTIVE TEST FOR MUTAGENS/CARCINOGENS. CONCN USED FOR QUANTIFICATION: 500 NMOLES/ML; NUCLEAR GRAIN COUNTS 0.8 +/- 1.5; CONTROL 0.5 +/- 1.0. RESULTS: NEGATIVE.

MUTAGENICITY OF DIMETHYLCARBAMOYL CHLORIDE & DIETHYLCARBAMOYL CHLORIDE IN 2 STRAINS OF ESCHERICHIA COLI WAS STUDIED. DIETHYYLCARBAMOYL CHLORIDE WAS A SOMEWHAT WEAKER MUTAGEN THAN DIMETHYLCARBAMOYL CHLORIDE.

Antidote and Emergency Treatment · 2 件

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poison A and B/

Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in respiratory arrest. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poison A and B/

Toxicity DataLCLo (rat) = 159 ppm/7h
Non-Human Toxicity ValuesLD50 Mouse ip 750 mg/kg

安全データ

wgk
1
tsca
TSCA listed
rtecs
FD4025000
ridadr
UN 3265 8/PG 3
hs_code
29241990
risk_code
20/22-36/37/38-40

化学と産業

用途と製造

Uses · 2 件

Used as an intermediate in the synthesis of herbicides; [HSDB]

INTERMEDIATE IN SYNTHESIS OF HERBICIDES

Methods of ManufacturingDiethylamine + phosgene (phosgenation)
General Manufacturing InformationCarbamic chloride, N,N-diethyl-: ACTIVE
応用分野 · 2 件

用途有機合成原料。

使用It is used in the production of pharma ingredients. It is a reagent in the synthesis of S-Methyl-N,N-diethylthiocarbamate Sulfoxide, which is an oxygenated metabolite of Disulfiram (Antabuse) that is capable of in vitro inactivation of liver mitochondrial aldehyde dehydrogenase.

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
上海伟聂化工科技有限公司13046668259 · [email protected]

関連反応

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