CAS 5555-00-0 2-Methylfuran-3-carbonyl chloride (HCID 2759850)

기본 정보

CAS: 5555-00-0
표준 SMILES: Cc1occc1C(=O)Cl
InChIKey: AFFZVBHMMXZNKE-UHFFFAOYSA-N
분자식: C6H5ClO2
평균 분자량: 144.55 g/mol
단동위원소 질량: 143.99780708

이름 및 식별자

우선 이름: 2-Methylfuran-3-carbonyl chloride
IUPAC: 2-methylfuran-3-carbonyl chloride
현지명: 2-메틸푸란-3-탄소염
영어명: 2-METHYLFURAN-3-CARBONYL CHLORIDE
분자식: C6H5ClO2
분자량: 144.56

이름 및 동의어

2-Methylfuran-3-carbonyl chloride5555-00-0DTXSID70374942RefChem:263825DTXCID50325972622-718-92-Methyl-furan-3-carbonyl chloride2-Methyl-3-furoyl chlorideMFCD034214182-methyl-3-furancarbonyl chloride2-METHYLFURAN-3-CARBONYLCHLORIDE3-Furancarbonyl chloride, 2-methyl-

이름 더 보기

2-메틸푸란-3-탄소염2-Methylfuran-3-carbonyl chloride 97%

SCHEMBL1164338AFFZVBHMMXZNKE-UHFFFAOYSA-N2-methyl-3-furanecarbonyl chloride2-methyl-3-furancarboxylic chloride2-methylfuran-3-carboxylic chlorideGEO-01835SBB0863642-methyl-3-furanylcarboxylic chloride

데이터베이스 식별자

CAS: 5555-00-0
PubChem CID: 2759850
DTXSID: DTXSID70374942
EC Number: 622-718-9

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 30.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 124

물리화학적 성질

끓는 점: 59 · 59-61°C 12mm
밀도: 1.24 · 1.24
굴절률: 1.505 · 1.505
인화점: 59 · 59-61°C/12mm
저장 조건: 2 · Inert atmosphere,2-8°C
InChI: 1S/C6H5ClO2/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3
InChIKey: AFFZVBHMMXZNKE-UHFFFAOYSA-N
SMILES: Cc1occc1C(Cl)=O

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 44 reports by companies from 4 notifications to the ECHA C&L Inventory.