Dimethylthiocarbamoyl chloride (HCID 27871)

개요

structure in first source

이름 및 식별자

우선 이름: Dimethylthiocarbamoyl chloride
IUPAC: N,N-dimethylcarbamothioyl chloride
영어명: Dimethylthiocarbamoyl chloride
분자식: C3H6ClNS
분자량: 123.6

이름 및 동의어

Dimethylthiocarbamoyl chloride16420-13-6Carbamothioic chloride, dimethyl-XDX36AS4VHCarbamothioic chloride, N,N-dimethyl-DTXSID4066048DMTC-ClRefChem:134387DTXCID7035272240-468-5N,N-Dimethylcarbamothioic chlorideDIMETHYLCARBAMOTHIOIC CHLORIDE

이름 더 보기

N,N-Dimethylaminothioformyl chloridethiocarbamoyLDiMethylthiocarbaMoyN,N-Dimethylaminothioformyldimethyl-carbamothioicchlorid

N,N-dimethylcarbamothioyl chlorideDimethylthiocarbamoylchloride(chloromethanethioyl)dimethylamineN,N-Dimethylthiocarbamoyl chlorideMFCD00004919Dimethylthyocarbamoyl clorideCarbamoyl chloride, dimethylthio-Dimethylthiocarbamyl chloride

데이터베이스 식별자

CAS: 16420-13-6
PubChem CID: 27871
DTXSID: DTXSID4066048
UNII: XDX36AS4VH
EC Number: 240-468-5
Nikkaji: J23.404D

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 35.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 6
형식 전하: 0
복잡도: 61.8

실험 및 물리화학적 성질

Chemical ClassesToxic Gases & Vapors -> Acid Halides

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physical DescriptionPale yellow solid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 39 · 39-43 °C (lit.)
끓는 점: 90 · 90-95 °C/0.5 mmHg (lit.)
밀도: 1.204 · 1.204 (estimate)
굴절률: 1.61 · 1.6100 (estimate)
인화점: 209 °F · 209 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름과 테트라히드로푸란에 용해됩니다.
산도 계수 (pKa): 0.3 · 0.30±0.50(Predicted)
물리적 상태: 저융점 결정질 고체 또는 결정
색상: 약간 노란색~노란색
수용성: 물과 반응
BRN: 635823 · 635823
InChI: 1S/C3H6ClNS/c1-5(2)3(4)6/h1-2H3
InChIKey: PHWISQNXPLXQRU-UHFFFAOYSA-N
SMILES: CN(C)C(Cl)=S
NIST: Carbamothioic chloride, dimethyl-(16420-13-6)
EPA: Carbamothioic chloride, dimethyl- (16420-13-6)

화학적 성질

slightly yellow to yellow low melting crystalline

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H290 (13.2%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P264, P264+P265, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryCauses burns; Toxic by ingestion; [Alfa Aesar MSDS] See Dimethyl carbamoyl chloride.

Hazard Classes and CategoriesMet. Corr. 1 (13.2%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 2
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
HS 번호: 29302000
risk_code: 22-34-29-14
hazard_code: C
safety_code: 26-36/37/39-45-8-30-22-27
포장분류: III
위험 등급: 8
F 고인화성물질: 10-19-21
위험 참고 사항: Corrosive
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationCarbamothioic chloride, N,N-dimethyl-: ACTIVE

응용 분야 · 1건

용도Dimethylthiocarbamoyl chloride is used as an intermediate in the synthesis of pharmaceuticals. It finds application in chemoselective deoxygenation of pyridine-N-oxides. It is also used as a starting reagent in the synthesis of dimethylthiocarbamates.

상·하류 제품 정보

상류 원료

사염화탄소 테트라메틸티우람디설파이드

하류 제품

2-나프탈렌티올 시클로펜틸이소티오시아네이트 4,4-DIMETHYL-3-THIOSEMICARBAZIDE 3-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE 이소티오시안산메타토릴에스테르 3-CHLOROPHENYL ISOTHIOCYANATE 3-FLUOROPHENYL ISOTHIOCYANATE 4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE 3-CHLORO-4-FLUOROPHENYL ISOTHIOCYANATE 메틸2-[(디메틸카르바모티오일)-옥시]-4-메톡시벤조에이트 3-디메틸아미노-1,2,4-디티아졸-5-티온 1-Isopropyl-3-isothiocyanatobenzene

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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]

上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

연결된 노트

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Dimethylthiocarbamoyl chloride

기본 정보

개요