디에틸티오카르바모일클로라이드

Diethylthiocarbamoyl chloride

HCID 66607CAS 88-11-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCN(CC)C(=S)Cl
InChIKey: HUUSTUALCPTCGJ-UHFFFAOYSA-N
분자식: C5H10ClNS
평균 분자량: 151.66 g/mol
단동위원소 질량: 151.022248

이름 및 식별자

우선 이름: Diethylthiocarbamoyl chloride
IUPAC: N,N-diethylcarbamothioyl chloride
현지명: 디에틸티오카르바모일클로라이드
영어명: Diethylthiocarbamoyl chloride
분자식: C5H10ClNS
분자량: 151.66

이름 및 동의어

Diethylthiocarbamoyl chloride88-11-9Carbamothioic chloride, diethyl-EINECS 201-799-0DTXSID0075364NSC 379476RefChem:133536DTXCID3048607201-799-0N,N-diethylcarbamothioyl chlorideN,N-Diethylcarbamothioic chlorideMFCD00022106

이름 더 보기

디에틸티오카르바모일클로라이드dlethylthiocarbamyl chlorideDiethyl thiocarbamyl chlorideDiethylthiocarbaMoyl chloride 95%Diethylthiocarbamoyl chloride, tech

Carbamothioic chloride, N,N-diethyl-diethylcarbamothioic chlorideDiethylcarbamothioyl chlorideDiethyl thiocarbamoyl chloride(chloromethanethioyl)diethylamine(diethylamino)methanethioyl chlorideDiethylthiocarbamoylchloridediethylthiocarbamyl chloride

데이터베이스 식별자

CAS: 88-11-9
PubChem CID: 66607
DTXSID: DTXSID0075364
EC Number: 201-799-0
Nikkaji: J23.437K

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 35.3 Å²
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

물리화학적 성질

녹는점: 45 · 45-50 °C (lit.)
끓는 점: 113 °C/10 · 113 °C/10 mmHg (lit.)
밀도: 1.119 · 1.119 (estimate)
굴절률: 1.61 · 1.6100 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Refrigerator, Under Inert Atmosphere
용해도: soluble in Dichloromethane, Ethyl Acetate
물리적 상태: 고체
산도 계수 (pKa): 0.3 · 0.30±0.50(Predicted)
안정성: 흡습성, 물에 민감함
InChI: 1S/C5H10ClNS/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3
InChIKey: HUUSTUALCPTCGJ-UHFFFAOYSA-N
SMILES: CCN(CC)C(Cl)=S
EPA: Carbamothioic chloride, diethyl- (88-11-9)

화학적 성질

Yellow Crystalline Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 2
HS 번호: 29302000
risk_code: 34
hazard_code: C,Xi
safety_code: 22-26-27-36/37/39-45
포장분류: III
위험 등급: 8
위험 참고 사항: Irritant
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도Diethylthiocarbamoyl chloride is a useful synthetic intermediate

일반 설명Diethylthiocarbamoyl chloride is a thiocarbamoyl derivative. It has been reported to participate in the thionation of amides as thionating reagent.