CAS 202591-85-3 2-Butyn-1-yl chloroformate (HCID 4131669)

기본 정보

CAS: 202591-85-3
표준 SMILES: CC#CCOC(=O)Cl
InChIKey: MFKKPMUEGDJJSL-UHFFFAOYSA-N
분자식: C5H5ClO2
평균 분자량: 132.54 g/mol
단동위원소 질량: 131.9978071

이름 및 식별자

우선 이름: 2-Butyn-1-yl chloroformate
IUPAC: but-2-ynyl carbonochloridate
현지명: 2-부틴-1-일클로로포름산염98
영어명: 2-Butyn-1-yl chloroformate 98
분자식: C5H5ClO2
분자량: 132.54

이름 및 동의어

202591-85-32-Butyn-1-yl chloroformateDTXSID70399690RefChem:86058DTXCID50350547623-662-8MFKKPMUEGDJJSL-UHFFFAOYSA-NBut-2-yn-1-yl carbonochloridatebut-2-ynyl carbonochloridate2-Butyn-1-yl chloroformate;But-2-ynyl Chloroformate2-BUTYN-1-YL CHLOROFORMATE, 98%

이름 더 보기

2-부틴-1-일클로로포름산염982-Butyn-1-yl chloroformate 98Carbonochloridic acid, 2-butyn-1-yl ester

SCHEMBL649854AKOS016009148

데이터베이스 식별자

CAS: 202591-85-3
PubChem CID: 4131669
DTXSID: DTXSID70399690
EC Number: 623-662-8

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 139

실험 및 물리화학적 성질

Kovats Retention Index919

물리화학적 성질

끓는 점: 156 °C · 156 °C(lit.)
밀도: 1.169 g/mL · 1.169 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.452(lit.)
인화점: 140 °F · 140 °F

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 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.