알파-톨루엔설포닐 염화물

Phenylmethanesulfonyl chloride

HCID 74740CAS 1939-99-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=S(=O)(Cl)Cc1ccccc1
InChIKey: OAHKWDDSKCRNFE-UHFFFAOYSA-N
분자식: C7H7ClO2S
평균 분자량: 190.65 g/mol
단동위원소 질량: 189.98552814

이름 및 식별자

우선 이름: Phenylmethanesulfonyl chloride
IUPAC: phenylmethanesulfonyl chloride
현지명: 알파-톨루엔설포닐 염화물
영어명: alpha-Toluenesulfonyl chloride
분자식: C7H7ClO2S
분자량: 190.65

이름 및 동의어

Phenylmethanesulfonyl chloride1939-99-7alpha-Toluenesulfonyl chlorideBenzylsulfonyl chlorideBenzenemethanesulfonyl chlorideBenzylsulfochloridea-toluenesulfonyl chloride.alpha.-Toluenesulfonyl chlorideMethanesulfonyl chloride, phenyl-Phenylmethylsulfonyl chlorideMFCD00007455Phenyl-Methanesulfonyl Chloride

이름 더 보기

알파-톨루엔설포닐염화물알파-톨루엔술포닐염화물알파-톨루엔설포닐염화물PMS-CLNSC 41894OTAVA-BB BB7020430779BENZYL SULFONIC CHLORIDEà-benzylsulfonyl chlorideBenzylsulfonylChloride>

Toluene-alpha-sulphonyl chloridebenzylsulphonyl chloride5G7C8MSX2Palpha-toluenesulphonyl chlorideNSC-41894alpha-ToluenesulfonylchloridePhenylmethanesulphonyl chlorideBenzylsulfonyl Chloride; NSC 41894; Phenylmethanesulfonyl Chloride;

데이터베이스 식별자

CAS: 1939-99-7
PubChem CID: 74740
DTXSID: DTXSID3062071
UNII: 5G7C8MSX2P
EC Number: 217-717-1
Nikkaji: J41.427A

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 199

실험 및 물리화학적 성질

Chemical ClassesToxic Gases & Vapors -> Acid Halides

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physical DescriptionOff-white crystalline solid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 92 · 92-94 °C(lit.)
끓는 점: 120 °C · 120 °C / 10mmHg
밀도: 1.3264 · 1.3264 (estimate)
굴절률: 1.624 · 1.624-1.626
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 톨루엔에 용해됨
물리적 상태: 결정성 분말
색상: 거의 흰색
수용성: 물에서 분해되다
BRN: 972806 · 972806
InChI: 1S/C7H7ClO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey: OAHKWDDSKCRNFE-UHFFFAOYSA-N
SMILES: ClS(=O)(=O)Cc1ccccc1
NIST: Benzenemethanesulfonyl chloride(1939-99-7)
EPA: Benzenemethanesulfonyl chloride (1939-99-7)

화학적 성질

almost white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

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

Aggregated GHS information provided per 51 reports by companies from 5 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 2건

Chemical: Benzenemethanesulfonyl chloride

Phenylmethanesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryReacts with water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See p-Toluenesulfonyl chloride.

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

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
HS 번호: 29049020
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
기존화학 물질: KE-02569
F 고인화성물질: 10-21
위험 참고 사항: Corrosive
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenemethanesulfonyl chloride: ACTIVE

응용 분야 · 1건

일반 설명Phenylmethanesulfonyl chloride is an aliphatic sulfonyl chloride. It reacts with triethylamine in methylene chloride or ether to yield trans-stilbene and cis diphenylethylene sulfone. Its reaction with 1,1-bis(diethylamino)ethane has been studied. Addition of phenylmethanesulfonyl chloride to 1,3-diphenyl-2-pyrrolidinopropene in the presence of water was studied.