프로판술보닐(1-)글로라이드

1-Propanesulfonyl chloride

HCID 66279

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 10147-36-1
표준 SMILES: CCCS(=O)(=O)Cl
InChIKey: KPBSJEBFALFJTO-UHFFFAOYSA-N
분자식: C3H7ClO2S
평균 분자량: 142.61 g/mol
단동위원소 질량: 141.98552814

이름 및 식별자

우선 이름: 1-Propanesulfonyl chloride
IUPAC: propane-1-sulfonyl chloride
현지명: 프로판술보닐(1-)글로라이드
영어명: 1-Propanesulfonyl chloride
분자식: C3H7ClO2S
분자량: 142.6

이름 및 동의어

1-Propanesulfonyl chloridePropanesulfonyl chloridePropanesulphonyl chloriden-propanesulfonyl chlorideMHH8GN4LBVn-propanesulphonyl chloride1-propanesulphonyl chlorideEINECS 233-414-7DTXSID4064973PROPAN-1-SULFONYL CHLORIDEPROPAN-1-SULPHONYL CHLORIDERefChem:77140

이름 더 보기

프로판술보닐(1-)글로라이드1-프로페인술폰일 클로라이드PROPANE SULFONYL CHLORIDETirofiban Impurity 73Propyl sulfonyl chloride1-PropanesulfonylChloride>Propane-1-sulphonyl chloridePropanesulphonyl chloride，>98%1-Propanesulfonyl chloride,99%

DTXCID2032639InChI=1/C3H7ClO2S/c1-2-3-7(4,5)6/h2-3H2,1HKPBSJEBFALFJTO-UHFFFAOYSA-NPropane-1-sulfonyl chloride10147-36-11-Propane Sulfonyl Chloridepropylsulfonyl chlorideMFCD00007462

데이터베이스 식별자

CAS: 10147-36-1
PubChem CID: 66279
DTXSID: DTXSID4064973
UNII: MHH8GN4LBV
EC Number: 233-414-7
Nikkaji: J192.746I

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 7
형식 전하: 0
복잡도: 120

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point

물리화학적 성질

녹는점: -37 °C · -37 °C
끓는 점: 78 · 78-79 °C/15 mmHg (lit.)
밀도: 1.267 g/mL · 1.267 g/mL at 25 °C (lit.)
증기 밀도: 4.9 · 4.9 (vs air)
굴절률: 20 · n20/D 1.453(lit.)
인화점: 176 °F · 176 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 투명한 액체
색상: 무색~연황색
수용성: 뜨거운 물에서 분해됩니다.
BRN: 1747500 · 1747500
InChI: 1S/C3H7ClO2S/c1-2-3-7(4,5)6/h2-3H2,1H3
InChIKey: KPBSJEBFALFJTO-UHFFFAOYSA-N
SMILES: CCCS(Cl)(=O)=O
NIST: 1 · 1-Propanesulfonyl chloride(10147-36-1)
EPA: 1 · 1-Propanesulfonyl chloride (10147-36-1)

화학적 성질

Light yellow liquid

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+P351+P338, P305+P354+P338, P316, P317, P321, P337+P317, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 156 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 19-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30670

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

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

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
HS 번호: 29049090
risk_code: 14-34-36-R36-R34-R14
hazard_code: C
safety_code: 26-36/37/39-45-S45-S36/37/39-S26
포장분류: III
위험 등급: 8
F 고인화성물질: 10-19-21
Hazard Classifications: Eye Irrit. 2Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing Information1-Propanesulfonyl chloride: ACTIVE

응용 분야 · 2건

개요1-Propanesulfonyl chloride is a highly reactive sulfonyl chloride derivative that is highly hygroscopic. It is primarily used as a pharmaceutical intermediate or an organic synthesis reagent in the preparation of sulfonamide drugs, such as abrocitinib and vemurafenib.

용도1-Propanesulfonyl chloride was used in synthesis of 1-alkyl-3-methylimidazolium alkanesulfonate ionic liquids.