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디에틸카바모일클로라이드

Diethylcarbamoyl chloride

HCID 6916
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
88-10-8
표준 SMILES
CCN(CC)C(=O)Cl
InChIKey
OFCCYDUUBNUJIB-UHFFFAOYSA-N
분자식
C5H10ClNO
평균 분자량
135.59 g/mol
단동위원소 질량
135.04509162

개요

structure

이름 및 식별자

우선 이름
Diethylcarbamoyl chloride
IUPAC
N,N-diethylcarbamoyl chloride
현지명
디에틸카바모일클로라이드
영어명
Diethylcarbamyl chloride
분자식
C5H10ClNO
분자량
135.59

이름 및 동의어

DIETHYLCARBAMOYL CHLORIDE88-10-8Diethylcarbamyl chlorideN,N-Diethylcarbamoyl chlorideCarbamic chloride, diethyl-Diethylcarbamic chlorideDiethylchloroformamideCarbamoyl chloride, diethyl-N,N-DiethylchloroformamideCarbamidoyl chloride, diethyl-DTXSID0052598Diethylamid kyseliny chlormravenci
이름 더 보기
다이에틸카바모일클로라이드디에틸카바민일염화물디에틸카바모일클로라이드디에틸클로로포름아미드디에틸카바민일염화물다이에틸카바모일 클로라이드DECCC5H10ClNON, 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

데이터베이스 식별자

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

물성

구조 계산 물성보충 중

XLogP
1.4
극성 표면적
20.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
8
형식 전하
0
복잡도
80.5

실험 및 물리화학적 성질

Chemical Classes · 2건

Toxic Gases & Vapors -> Acid Halides

Flammable agents - 2nd degree

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

163 - 172 °C

325-342 °F (OPEN CUP)

Boiling Point186 °C
DecompositionWHEN HEATED TO DECOMP, EMITS HIGHLY TOXIC FUMES OF /HYDROGEN CHLORIDE AND NITROGEN OXIDES/.
Melting Point-32 °C
Vapor Density4.1 (Air= 1)
Vapor Pressure0.72 [mmHg]
Physical DescriptionLiquid; [HSDB] Colorless liquid; [MSDSonline]
Other Experimental PropertiesDecomp in hot water or hot alcohol.

물리화학적 성질

녹는점
32 °C · −32 °C(lit.)
끓는 점
117 · 117-123 °C133 mm Hg(lit.)
밀도
1.07 g/mL · 1.07 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.451(lit.)
인화점
167 °F · 167 °F
저장 조건
2 · Inert atmosphere,2-8°C
용해도
클로로포름, 메탄올(약간)에 용해됨
물리적 상태
액체
산도 계수 (pKa)
-1.85 · -1.85±0.70(Predicted)
색상
투명한
Specific Gravity
1.07 · 1.070
수용성
가수 분해
BRN
506687 · 506687
안정성
수분에 민감한
InChI
1S/C5H10ClNO/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3
InChIKey
OFCCYDUUBNUJIB-UHFFFAOYSA-N
SMILES
CCN(CC)C(Cl)=O
NIST
Carbamic chloride, diethyl-(88-10-8)
EPA
Diethylcarbamoyl chloride (88-10-8)

화학적 성질

clear yellow to brownish liquid

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

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)

유해성 정보

Regulatory Information · 2건

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 · 1건

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 · 4건

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 · 4건

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.

안전 및 보호

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

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 · 2건

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 · 2건

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/

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
FD4025000
ridadr
UN 3265 8/PG 3
HS 번호
29241990
risk_code
20/22-36/37/38-40
hazard_code
Xn
safety_code
26-36/37
포장분류
II
위험 등급
8
Hazard Classifications
Acute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스
10 - Combustible liquids
유해 물질 데이터
88-10-8(Hazardous Substances Data)

화학 및 산업

용도 및 제조

Uses · 2건

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
응용 분야 · 1건

용도It 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.

상·하류 제품 정보

상류 원료

염소(기체)다이에틸아민METALLURGICAL COKE에틸디에틸카바메이트2(1H)-이소퀴놀린카르보닐클로라이드,3,4-디히드로-(9CI)테트라에틸티우람디설파이드디에틸티오카르바모일클로라이드S-메틸-N,N-디에틸티오카르바메이트

하류 제품

피페라진-1-카르복실산디에틸아미드Diethylcarbamazine디에틸카르밤산메틸엔,엔-디메틸포름알데히드N,N-디에틸-2-페닐아세트아미드3-피리딜디에틸카바메이트

관련 반응

275건
반응 기록 만들기
HRID 26116 반응식
HRID 26116반응물로uspto-grants-1979_04
HRID 26712 반응식
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HRID 37685 반응식
HRID 37685반응물로uspto-grants-1995_05
HRID 52134 반응식
HRID 52134반응물로uspto-grants-1997_04
HRID 66337 반응식
HRID 66337반응물로uspto-grants-1978_12
HRID 85841 반응식
HRID 85841반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 98841 반응식
HRID 98841반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 102896 반응식
HRID 102896반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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Toxicity Data
LCLo (rat) = 159 ppm/7h
Non-Human Toxicity ValuesLD50 Mouse ip 750 mg/kg