1-클로로-3-(톨렌-P-술포닐옥시)프로판

3-Chloropropyl p-toluenesulfonate

HCID 69434

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 632-02-0
표준 SMILES: Cc1ccc(S(=O)(=O)OCCCCl)cc1
InChIKey: NQCQVNHLNXCSPY-UHFFFAOYSA-N
분자식: C10H13ClO3S
평균 분자량: 248.73 g/mol
단동위원소 질량: 248.0273931

이름 및 식별자

우선 이름: 3-Chloropropyl p-toluenesulfonate
IUPAC: 3-chloropropyl 4-methylbenzenesulfonate
현지명: 1-클로로-3-(톨렌-P-술포닐옥시)프로판
영어명: 1-Chloro-3-(tolene-p-sulphonyloxy) propane
분자식: C10H13ClO3S
분자량: 248.73

이름 및 동의어

3-chloropropyl 4-methylbenzenesulfonate3-Chloropropyl p-toluenesulfonate3-chloropropyl 4-methylbenzene-1-sulfonate1-Propanol, 3-chloro-, 1-(4-methylbenzenesulfonate)Y9AUH8WW2U3-CHLOROPROPYL TOSYLATENSC-8593-CHLOROPROPYL P-TOSYLATEDTXSID10883346O-(P-TOLYLSULFONYL)-3-CHLOROPROPANOLTOLUENE-4-SULFONIC ACID 3-CHLOROPROPYL ESTERRefChem:93536

이름 더 보기

1-클로로-3-(톨렌-P-술포닐옥시)프로판3-CHLOROPROPYLTOSYLATETOLYL-(3-CHLOROPROPYL)-ETHER3-Chloropropylp-toluensulfonate3-CHLOROPROPYL-P-TOLUENESULFONATE3-(3-chloropropyl)-4-methylbenzenesulfonate4-Methylbenzenesulfonic acid 3-chloropropyl ester

DTXCID101022884660-172-3632-02-0MFCD000928811-Propanol, 3-chloro-, 4-methylbenzenesulfonate3-Chloropropyl-p-toluene sulfonate1-Chloro-3-(tolene-p-sulphonyloxy) propane1-Chloro-3-(tolene-p-sulphonyloxy)propane

데이터베이스 식별자

CAS: 632-02-0
PubChem CID: 69434
DTXSID: DTXSID10883346
UNII: Y9AUH8WW2U
EC Number: 660-172-3
Nikkaji: J421.519B

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 51.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 15
형식 전하: 0
복잡도: 263

물리화학적 성질

끓는 점: 216 · 216-219 °C(Press: 17 Torr)
밀도: 1.2674 g/cm3 · 1.2674 g/cm3
저장 조건: 2 · 2-8°C
EPA: 1 · 1-Propanol, 3-chloro-, 4-methylbenzenesulfonate (632-02-0)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.