(Chloromethyl)sulfonyl chloride

HCID 77054CAS 3518-65-8

기본 정보

표준 SMILES: O=S(=O)(Cl)CCl
InChIKey: KQDDQXNVESLJNO-UHFFFAOYSA-N
분자식: CH2Cl2O2S
평균 분자량: 149 g/mol
단동위원소 질량: 147.91525566

이름 및 식별자

우선 이름: (Chloromethyl)sulfonyl chloride
IUPAC: chloromethanesulfonyl chloride
영어명: Chloromethanesulfonyl chloride
분자식: CH2Cl2O2S
분자량: 149

이름 및 동의어

Chloromethanesulfonyl chloride3518-65-8Methanesulfonyl chloride, chloro-Chloromethanesulphonyl chlorideChlormethansulfochloridChlormethansulfonylchlorid(Chloromethyl)sulfonyl chlorideChlorid kyseliny chlormethansulfonoveChlormethansulfochlorid [Czech]Chlormethansulfonylchlorid [Czech]7WRW5VDZ79EINECS 222-526-1

이름 더 보기

CHLOROMESYL CHLORIDECMSCRARECHEM AW HA 0004CHLORMETHYLSULFONYL CHLORIDEchloro-methanesulfonylchloridChloromethylsulphonylchloride

BRN 1811761Chlorid kyseliny chlormethansulfonove [Czech]DTXSID30188668RefChem:406015DTXCID90111159Chloromethylsulfonyl Chloridechloromethylsulphonyl chlorideMFCD00014727

데이터베이스 식별자

CAS: 3518-65-8
PubChem CID: 77054
DTXSID: DTXSID30188668
UNII: 7WRW5VDZ79
EC Number: 222-526-1
Nikkaji: J41.683E

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 6
형식 전하: 0
복잡도: 108

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

끓는 점: 80 · 80-81°C
밀도: 1.64 g/mL · 1.64 g/mL at 20 °C(lit.)
굴절률: 1.488 · 1.488
인화점: 110 °C · 110.00°C
저장 조건: -20 °C · -20°C
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 액체
Specific Gravity: 1.67 · 1.67
색상: 하얀색
수용성: 디클로로메탄, 피리딘 및 대부분의 유기 용매에 용해됩니다. 물에 녹지 않습니다.
BRN: 1811761 · 1811761
InChI: 1S/CH2Cl2O2S/c2-1-6(3,4)5/h1H2
InChIKey: KQDDQXNVESLJNO-UHFFFAOYSA-N
SMILES: ClCS(Cl)(=O)=O
NIST: Chloromethanesulfonyl chloride(3518-65-8)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (91.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (91.8%)

안전 데이터

wgk: 3
rtecs: PB2800000
ridadr: UN 3265 8/PG 2
HS 번호: 2904990090
risk_code: 22-34
hazard_code: C,Xi
safety_code: 26-36/37/39-45
포장분류: I
위험 등급: 8
F 고인화성물질: 10-21
위험 참고 사항: Corrosive
Hazard Classifications: Acute Tox. 4 OralSkin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도Chloromethanesulfonyl Chloride is a very useful intermediate for organic synthesis. It enhances citric acid production by Aspergillus niger NCIM-1696 and increases the yield of citric acid. It also functions as a useful intermediate for pharmaceutical synthesis.