4-Chlorobenzonitrile (HCID 12163)

개요

4-Chlorobenzonitrile is a nitrile and a member of benzenes.

이름 및 식별자

우선 이름: 4-Chlorobenzonitrile
IUPAC: 4-chlorobenzonitrile
현지명: P-클로로벤조나이트릴
영어명: 4-Chlorobenzonitrile
분자식: C7H4ClN
분자량: 137.57

이름 및 동의어

4-CHLOROBENZONITRILE623-03-0p-ChlorobenzonitrileBenzonitrile, 4-chloro-p-CyanochlorobenzeneBenzonitrile, p-chloro-Nitril kyseliny p-chlorbenzoove1-chloro-4-cyanobenzenep-ChlorocyanobenzeneNSC 6111DTXSID80447031-cyano-4-chlorobenzene

이름 더 보기

4-클로로벤조나이트릴P-클로로벤조나이트릴P-클로로벤조나이트릴(P-CHLOROBENZONITRILE)PCBNChlorobenzonitrileAKOS B004081p-ChlorbenzonitrilP-CHLORBENZONITRILEp-Chlorotolunitrile4-Chlorocyanobenzene4-chloro-benzonitril

UNII-4Z0HGP3A8ANSC-6111EINECS 210-765-44Z0HGP3A8ANitril kyseliny p-chlorbenzoove [Czech]AI3-004924-Chlorobenzoic acid nitrile4-CYANOPHENYL CHLORID

데이터베이스 식별자

CAS: 623-03-0
PubChem CID: 12163
DTXSID: DTXSID8044703
ChEMBL: CHEMBL3188114
ChEBI: CHEBI:194693
UNII: 4Z0HGP3A8A
EC Number: 210-765-4
Nikkaji: J42.015H

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 127

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Nitriles

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP2.24

Vapor Pressure0.11 [mmHg]

Physical Description · 2건

CBI

White crystalline powder; Slightly soluble in water; [MSDSonline]

물리화학적 성질

녹는점: 90 · 90-93 °C(lit.)
끓는 점: 223 °C · 223 °C(lit.)
밀도: 1 · 1,2 g/cm3
증기압: 6.67 hPa · 6.67hPa at 80.4℃
굴절률: 1.453 · 1.4530 (estimate)
인화점: 108 °C · 108 °C
저장 조건: Sealed in dry,Room Temperature
용해도: 0.245 g/l · 0.245g/l 거의 불용성
물리적 상태: 플레이크 또는 덩어리
색상: 흰색에서 노란색으로
수용성: 불용성
BRN: 1072122 · 1072122
Henry's Law Constant: 2.5 · 2.5×10-1 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChIKey: GJNGXPDXRVXSEH-UHFFFAOYSA-N
LogP: 2.47 at · 2.47 at 20℃
NIST: 4 · 4-Chlorobenzoic acid nitrile(623-03-0)
EPA: 4 · 4-Chlorobenzonitrile (623-03-0)

화학적 성질 · 1건

4-Chlorobenzonitrile [623-03-0], 4- chloro-1-cyanobenzene, Cl – C6H4 – CN, Mr 137.6, mp 97℃, forms colorless crystals that can be sublimed. The compound is steam volatile, readily soluble in organic solvents, and only sparingly soluble in water. 4-Chlorobenzonitrile is produced industrially by the ammoxidation of 4-chlorotoluene. It is used in the synthesis of a red pigment for plastics.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 199 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: Benzonitrile, 4-chloro-

Benzonitrile, 4-chloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzonitrile, 4-chloro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 07-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/13585

4-Chlorobenzonitrile: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; [MSDSonline] See NITRILES.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: DI2800000
ridadr: 3439
HS 번호: 29269095
risk_code: 20/22-36/37/38
hazard_code: Xn
safety_code: 23-26-36
포장분류: III
위험 등급: 6.1(b)
기존화학 물질: 2001-3-1770
위험 참고 사항: Harmful

화학 및 산업

용도 및 제조

UsesUsed to make a red pigment for plastics; [Ullmann]

U.S. Production2023: 500,000 - <1,000,000 lb

Consumer UsesPigment

Industry UsesPigment

General Manufacturing Information · 2건

Synthetic Dye and Pigment Manufacturing

Benzonitrile, 4-chloro-: ACTIVE

응용 분야

용도4-Chlorobenzonitrile is used to prepare a red pigment for plastics. It is also used in the preparation of amides in organic synthesis. Further, it is used as an intermediate of dye and active pharmaceutical ingredients.

상·하류 제품 정보

상류 원료

P-클로로 안식향산 요소

하류 제품

2-(4-클로로페닐)-3-옥소발레로니트릴 4-Piperazinobenzonitrile 4-Chlorobenzene-1-carboximidamide hydrochloride 4-Chlorobenzamidine hydroiodide 4,4'-Dicarboxydiphenyl Ether 4-Chloro-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile 3,6-비스(4-클로로페닐)-2,5-다이하이드로피롤로(3,4-C)피롤레-1,4-디온 4-N-부톡시벤조니트릴 3-(4-CYANO-PHENYL)-3-OXO-PROPIONICACIDETHYL에스테르 TERT-부틸4-시아노페닐카바메이트 4-시아노티오펜올 4-에톡시벤조니트릴

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

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

宁太化工（山东）有限公司15314216173

연결된 노트

불러오는 중…

P-클로로벤조나이트릴

기본 정보

개요