2-Propanesulfonyl chloride

HCID 82408CAS 10147-37-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)S(=O)(=O)Cl
InChIKey: DRINJBFRTLBHNF-UHFFFAOYSA-N
분자식: C3H7ClO2S
평균 분자량: 142.61 g/mol
단동위원소 질량: 141.98552814

개요

structure in first source

이름 및 식별자

우선 이름: 2-Propanesulfonyl chloride
IUPAC: propane-2-sulfonyl chloride
영어명: ISOPROPYLSULFONYL CHLORIDE
분자식: C3H7ClO2S
분자량: 142.6

이름 및 동의어

10147-37-22-Propanesulfonyl chlorideIsopropyl sulfonyl chloride64X7NUB4AKDTXSID60143942RefChem:792262DTXCID7066433233-415-2Isopropylsulfonyl chloridePropane-2-sulfonyl chlorideIsopropylsulphonyl chlorideisopropanesulfonyl chloride

이름 더 보기

2-PropanesuLSOPROPYLSULFONYL CHLORIDEPropan-2-sulfonyl chlorideIsopropylsulfonylChloride>

2-Propanesulfonylchlorideisopropylsulphonyl chorideMFCD00007453EINECS 233-415-22-propylsulfonyl chloridepropan-2-sulfonyl chloridiso-propylsulfonyl chloride2-propanesulphonyl chloride

데이터베이스 식별자

CAS: 10147-37-2
PubChem CID: 82408
DTXSID: DTXSID60143942
UNII: 64X7NUB4AK
EC Number: 233-415-2
Nikkaji: J149.669G

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 130

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

녹는점: -47 °C · -47°C
끓는 점: 74 · 74-75 °C/19 mmHg (lit.)
밀도: 1.27 g/mL · 1.27 g/mL at 25 °C (lit.)
증기 밀도: 4 · 4 (vs air)
증기압: 15.5 mm · 15.5 mm Hg ( 25 °C)
굴절률: 20 · n20/D 1.453(lit.)
인화점: 187 °F · 187 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 아세톤트릴(약간), 클로로포름(약간)에 용해됨
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
Specific Gravity: 1.27 · 1.270
수용성: 물과 반응합니다.
BRN: 1747497 · 1747497
InChI: 1S/C3H7ClO2S/c1-3(2)7(4,5)6/h3H,1-2H3
InChIKey: DRINJBFRTLBHNF-UHFFFAOYSA-N
SMILES: CC(C)S(Cl)(=O)=O

화학적 성질

Clear pale yellow-greenish 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, 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 47 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

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

안전 데이터

wgk: 3
ridadr: UN 3265 8/PG 2
HS 번호: 29049090
risk_code: 34-R34
hazard_code: C
safety_code: 26-28-36/37/39-45-S45-S36/37/39-S28-S26
포장분류: II
위험 등급: 8
F 고인화성물질: 13-19-21
위험 참고 사항: Lachrymatory/Corrosive
자연 발화 온도: 865 °F
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

용도2-Propanesulfonyl chloride (isopropylsulfonyl chloride) can be used as a reactant to prepare:1-Isopropylsulfonyl-2-amine benzimidazole by reacting with 2-aminobenzimidazole via N-sulfonylation reaction in the presence of a base.Bis(isopropylsulfonyl)disulfide, a sulfurizing agent, used to synthesize phosphorothioate oligonucleotide analogs.

일반 설명The solvolysis of 2-propanesulfonyl chloride by an addition-elimination (association-dissociation) pathway was studied.