Dodecylsulfonyl chloride

HCID 66280CAS 10147-40-7

기본 정보

표준 SMILES: CCCCCCCCCCCCS(=O)(=O)Cl
InChIKey: PBULHKIPTBIZHO-UHFFFAOYSA-N
분자식: C12H25ClO2S
평균 분자량: 268.84 g/mol
단동위원소 질량: 268.12637872

이름 및 식별자

우선 이름: Dodecylsulfonyl chloride
IUPAC: dodecane-1-sulfonyl chloride
영어명: 1-Dodecanesulfonyl chloride
분자식: C12H25ClO2S
분자량: 268.84

이름 및 동의어

dodecane-1-sulfonyl chloride1-Dodecanesulfonyl chloride10147-40-7dodecylsulfonyl chlorideDTXSID7044500NSC-94098Dodecane-1-sulphonyl chlorideG45GS200PODTXCID5024500EINECS 233-416-8NSC 94098RefChem:590346

이름 더 보기

1-DODECANESULPHONYL CHLORIDEDodecanesulfonylchlorideDodecan-1-sulfonylchloridodecane-1-sulfonylchlorideAmmoniumcarbonateadditiveY-11-Dodecanesulfonic acid chloride1-DODECANESULFONYL CHLORIDE, 98+%1-DODECANESULFONYL CHLORIDE ISO 9001：2015 REACH

C12H25ClO2SMFCD00014728dodecane-1-sulfonylchlorideSCHEMBL744300NSC940981-Dodecanesulfonyl chloride, AldrichCPRCAS-10147-40-7F20459

데이터베이스 식별자

CAS: 10147-40-7
PubChem CID: 66280
DTXSID: DTXSID7044500
ChEMBL: CHEMBL3561591
UNII: G45GS200PO
EC Number: 233-416-8
Nikkaji: J227.070F

물성

구조 계산 물성

XLogP: 6
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 11
무거운 원자 수: 16
형식 전하: 0
복잡도: 232

물리화학적 성질

녹는점: 41 · 41-42°C
끓는 점: 126 · 126-130°C 4mm
밀도: 1.04 g/cm3 · 1.04 g/cm3
인화점: 126 · 126-130°C/4mm
물리적 상태: solid
BRN: 1778092 · 1778092
InChI: 1S/C12H25ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3
InChIKey: PBULHKIPTBIZHO-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCS(Cl)(=O)=O
EPA: 1 · 1-Dodecanesulfonyl chloride (10147-40-7)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.3% (1 of 44) of reports.

Danger

H314 (97.7%): 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 44 reports by companies from 3 notifications to the ECHA C&L Inventory.