Benzene, (3-chloro-1-propenyl)- (HCID 94242)

이름 및 식별자

우선 이름: Benzene, (3-chloro-1-propenyl)-
IUPAC: 3-chloroprop-1-enylbenzene
영어명: Cinnamyl chloride
분자식: C9H9Cl
분자량: 152.62

이름 및 동의어

Benzene, (3-chloro-1-propenyl)-RefChem:5621183-chloroprop-1-enylbenzene(Chloromethyl)styreneChloromethylstyrene(3-Chloropropenyl)benzene3-Phenyl-2-propenyl chloride(3-Chloroprop-1-enyl)benzene3-Chloro-1-phenyl-1-propeneDapoxetine Impurity 75EINECS 220-246-43-Phenylallyl chloride

이름 더 보기

AKOS 371Cinnamyl chlorideAKOS BBS-00003853Cinnamylchloride,95%β-ChloromethylstyleneCinnamyl chloride 95%β-Chloromethylstyreneb-Chloromethylstyrener-Chloropropenylbenzene

AI3-01855SCHEMBL15852(3-chloro-1-propenyl)benzene1-chloro-3-phenyl-2-propeneSCHEMBL2311225SCHEMBL3713876SCHEMBL8863221DTXSID6062591

데이터베이스 식별자

CAS: 2687-12-9
PubChem CID: 94242
DTXSID: DTXSID6062591
EC Number: 220-246-4

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 101

실험 및 물리화학적 성질

SpringerMaterials PropertiesDensity

물리화학적 성질

녹는점: -19 °C · -19 °C (lit.)
끓는 점: 108 °C/12 · 108 °C/12 mmHg (lit.)
밀도: 1.096 g/mL · 1.096 g/mL at 25 °C (lit.)
증기압: 2 Pa · 2Pa at 20℃
굴절률: 20 · n20/D 1.584(lit.)
인화점: 175 °F · 175 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
색상: 노란색에서 황갈색
수용성: 0.2 g/L · 0.2g/L(20℃)
BRN: 741974 · 741974
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
LogP: 3.3 · 3.3
NIST: Benzene, (3-chloro-1-propenyl)-(2687-12-9)
EPA: Benzene, (3-chloro-1-propenyl)- (2687-12-9)

화학적 성질

yellow to yellow-brown liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (80.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P333+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Benzene, (3-chloro-1-propenyl)-

Status: Active Update: 25-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/24361

Benzene, (3-chloro-1-propenyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (80.8%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: CZ0919905
ridadr: UN 1760 8/PG 2
독성: rat,LC50,inhalation,29mg/m3/4H (29mg/m3),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION,Toksikologicheskii Vestnik. Vol. (4), Pg. 30, 1997.
HS 번호: 29039990
risk_code: 22-26-34-43-36
hazard_code: T+,C
safety_code: 26-28-36/37/39-45-28A-23-27
포장분류: III
위험 등급: 8
위험 참고 사항: Corrosive/Lachrymatory
Hazard Classifications: Muta. 2Repr. 2Skin Irrit. 2Skin Sens. 1BSTOT RE 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도Cinnamyl chloride is used in the enantioselective total synthesis of helioporins C and E, bioactive marine diterpenes.

일반 설명Cinnamyl chloride reacts regioselectively with aryl and alkenylgold(I) phosphanes in the presence of palladium catalyst in THF to afford the α-substitution product.

상·하류 제품 정보

상류 원료

하류 제품

신나리진 Cyclopropanemethanol, 2,2-dichloro-3-phenyl-(3-메톡시-1-프로페닐)벤젠 디페닐시클로프로페논 4-Penten-2-one, 5-phenyl-1H-Indole-2,3-dione, 1-(3-phenyl-2-propen-1-yl)-

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

연결된 노트

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Benzene, (3-chloro-1-propenyl)-

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