Hydratropoyl chloride

HCID 2760403CAS 22414-26-2

기본 정보

표준 SMILES: CC(C(=O)Cl)c1ccccc1
InChIKey: FOTITZRWZUAVPH-UHFFFAOYSA-N
분자식: C9H9ClO
평균 분자량: 168.62 g/mol
단동위원소 질량: 168.03419259

이름 및 식별자

우선 이름: Hydratropoyl chloride
IUPAC: 2-phenylpropanoyl chloride
영어명: 2-Phenyl-propionyl chloride
분자식: C9H9ClO
분자량: 168.62

이름 및 동의어

Hydratropoyl chlorideRefChem:788603625-056-92-phenylpropanoyl chloride22414-26-22-Phenylpropionyl chloride2-Phenyl-propionyl chlorideMFCD034247232-Phenylpropanoylchloride2-phenylpropionic acid chlorideSCHEMBL720886DTXSID20375141

이름 더 보기

2-phenylpropenyl chlorideBenzeneacetyl chloride, α-methyl-2-Phenyl-propionyl chloride ISO 9001：2015 REACH

alpha-phenylpropionic acid chloride2-Phenylpropionyl chloride, >=95%AKOS006282315FS-6051(+/-)-2-phenylpropionic acid chlorideF014722

데이터베이스 식별자

CAS: 22414-26-2
PubChem CID: 2760403
DTXSID: DTXSID20375141
EC Number: 625-056-9
Nikkaji: J1.181.610J

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 138

물리화학적 성질

녹는점: 112 · 112-114 °C(Solv: ligroine (8032-32-4); dichloromethane (75-09-2))
끓는 점: 98 · 98-100 °C(Press: 15 Torr)
밀도: 1.139 · 1.139±0.06 g/cm3(Predicted)
BRN: 1938154 · 1938154

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 40 reports by companies from 1 notifications to the ECHA C&L Inventory.