신나모일클로라이드

Cinnamoyl Chloride

HCID 5354261

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 102-92-1
표준 SMILES: O=C(Cl)/C=C/c1ccccc1
InChIKey: WOGITNXCNOTRLK-VOTSOKGWSA-N
분자식: C9H7ClO
평균 분자량: 166.6 g/mol
단동위원소 질량: 166.01854252

개요

RN given refers to cpd without isomeric designation

이름 및 식별자

우선 이름: Cinnamoyl Chloride
IUPAC: (E)-3-phenylprop-2-enoyl chloride
현지명: 신나모일클로라이드
영어명: CINNAMOYL CHLORIDE
분자식: C9H7ClO
분자량: 166.6

이름 및 동의어

Cinnamoyl chloride17082-09-6102-92-13-Phenyl-2-propenoyl chlorideCinnamic acid chloride2-Propenoyl chloride, 3-phenyl-beta-Phenylacryloyl chlorideNSC-468304L46S032WDTXSID3059264RefChem:126263DTXCID6032693

이름 더 보기

신나모일클로라이드AKOS BBS-00003908CinnamoylChloride>CINNAMIC ACID CHLORIDE(2E)-Cinnamoyl chloride3-PHENYLACRYLYL CHLORIDE3-PHENYLPROPENOYL CHLORIDEBrexpiprazole impurity 108(E)-3-Phenylacrylyl chloride

203-065-5679-054-8(E)-cinnamoyl chloridetrans-Cinnamoyl chlorideCinnamic chloridetrans-3-Phenylacryloyl chloride(2E)-3-phenylprop-2-enoyl chlorideCinnamoylchloride

데이터베이스 식별자

CAS: 102-92-1、17082-09-6
PubChem CID: 5354261
DTXSID: DTXSID401312860
UNII: 04L46S032W
EC Number: 203-065-5、679-054-8
Nikkaji: J62.851D、J9.739J

물성

구조 계산 물성

XLogP: 3.1
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: 157

물리화학적 성질

녹는점: 35 · 35-37 °C(lit.)
끓는 점: 256 · 256-258 °C(lit.)
밀도: 1 · 1,162 g/cm3
굴절률: 1.5845 · 1.5845
인화점: 230 °F · >230 °F
저장 조건: 30 °C · Store below +30°C.
용해도: 0.1 g/mL, · 디옥산: 0.1 g/mL, 투명
물리적 상태: 고체
색상: 회백색
수용성: 물과 반응합니다.
Merck: 14 · 14,2301
BRN: 606265 · 606265
InChI: 1S/C9H9Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+
InChIKey: IWTYTFSSTWXZFU-QPJJXVBHSA-N
SMILES: ClC\C=C\c1ccccc1

안전 및 규제

GHS 분류

GHS Classification · 6건

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 42 reports by companies from 3 notifications to the ECHA C&L Inventory.

Danger

H290 (12.5%): May be corrosive to metals [Warning Corrosive to Metals]

유해성 정보

Regulatory Information · 2건

Chemical: 2-Propenoyl chloride, 3-phenyl-

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

Hazard Classes and Categories · 2건

Skin Corr. 1B (100%)

Met. Corr. 1 (12.5%)

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 2
HS 번호: 2916 39 90
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
F 고인화성물질: 10-21
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible, corrosive hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing Information2-Propenoyl chloride, 3-phenyl-: ACTIVE

응용 분야

용도(E)-Cinnamoyl Chloride is used in the preparation of aminodihydroquinoline analogs displaying anticancer activity. It is also used in the preparation of lysergol and related derivatives for use as antibacterials.