Benzenepropanoyl chloride (HCID 64801)

이름 및 식별자

우선 이름: Benzenepropanoyl chloride
IUPAC: 3-phenylpropanoyl chloride
영어명: Hydrocinnamoyl chloride
분자식: C9H9ClO
분자량: 168.62

이름 및 동의어

3-Phenylpropanoyl chlorideHydrocinnamoyl chloride3-Phenylpropionyl chlorideBenzenepropanoyl chloride3-Phenylpropionic acid chlorideAI3-18968EINECS 211-443-6BRN 0742586CCRIS 8627DTXSID4060947MFEILWXBDBCWKF-UHFFFAOYSA-4-09-00-01762 (Beilstein Handbook Reference)

이름 더 보기

HCCHYDROCINNAMONYL CHLORIDEHLD5FAM126ASKL1316DRCTNNB1AHydrocinnamoyl

RefChem:117709DTXCID8044331211-443-6InChI=1/C9H9ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2MFEILWXBDBCWKF-UHFFFAOYSA-N645-45-4Dihydrocinnamoyl chlorideHydrocinnamoylchloride

데이터베이스 식별자

CAS: 645-45-4
PubChem CID: 64801
DTXSID: DTXSID4060947
UNII: 69V26X8SZE
EC Number: 211-443-6
Nikkaji: J94.897G

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 128

물리화학적 성질

녹는점: 7 · −7-−5 °C(lit.)
끓는 점: 107 °C11 · 107 °C11 mm Hg(lit.)
밀도: 1.135 g/mL · 1.135 g/mL at 25 °C(lit.)
증기압: 6.893 Pa · 6.893Pa at 25℃
굴절률: 20 · n20/D 1.5265(lit.)
인화점: 227 °F · 227 °F
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 클로로포름(약간 용해됨)
물리적 상태: 액체
색상: 진한 녹황색
수용성: 물(반응) 및 에테르에 용해됩니다.
BRN: 742586 · 742586
InChI: 1S/C9H9ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey: MFEILWXBDBCWKF-UHFFFAOYSA-N
SMILES: ClC(=O)CCc1ccccc1
LogP: 1.73 · 1.73
NIST: Benzenepropanoyl chloride(645-45-4)
EPA: Benzenepropanoyl chloride (645-45-4)

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (98%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Benzenepropanoyl chloride

Status: Cease Manufacture Update: 07-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17632

3-Phenylpropionyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Benzenepropanoyl chloride: Human health tier I assessment

Hazard Classes and CategoriesSkin Corr. 1B (98%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: MW5652395
ridadr: UN 3265 8/PG 2
HS 번호: 29163900
risk_code: 20-34-29-14
hazard_code: C
safety_code: 26-36/37/39-45-8-30-23
포장분류: II
위험 등급: 8
F 고인화성물질: 10-21
Hazard Classifications: Acute Tox. 3 InhalationAquatic Chronic 3Skin Irrit. 2
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenepropanoyl chloride: ACTIVE

응용 분야

용도Hydrocinnamoyl chloride is a derivative of phenylpropionic acid used in the preparation of a wide range of pharmaceutical compounds such as antivirals and antitumor agents.

일반 설명Reduction of hydrocinnamoyl chloride at mercury cathodes in acetonitrile containing tetraalkylammonium perchlorates has been investigated by cyclic voltammetry.