Benzonitrile, 4-bromo-

HCID 12162CAS 623-00-7

기본 정보

표준 SMILES
N#Cc1ccc(Br)cc1
InChIKey
HQSCPPCMBMFJJN-UHFFFAOYSA-N
분자식
C7H4BrN
평균 분자량
182.02 g/mol
단동위원소 질량
180.95271123

이름 및 식별자

우선 이름
Benzonitrile, 4-bromo-
IUPAC
4-bromobenzonitrile
영어명
4-Bromobenzonitrile
분자식
C7H4BrN
분자량
182.02

이름 및 동의어

4-BROMOBENZONITRILE623-00-7Benzonitrile, 4-bromo-p-BromobenzonitrileBenzonitrile, p-bromo-1-Bromo-4-cyanobenzeneAI3-00488NSC 3978EINECS 210-764-9DTXSID60211352RefChem:566238Benzonitrile, p-bromo-(8CI)
이름 더 보기
4-bromobenzoic acid nitrilePBBNOf broMoxynil4-Brombenzonitril4-bromo-benzonitrilp-CyanobromobenzeneBROMOBENZONITRILE-4
DTXCID60133843210-764-9InChI=1/C7H4BrN/c8-7-3-1-6(5-9)2-4-7/h1-44-BromocyanobenzeneMFCD000018114-CYANOBROMOBENZENE4-bromo-benzonitrile4-cyano-bromobenzene

데이터베이스 식별자

CAS
623-00-7
PubChem CID
12162
DTXSID
DTXSID60211352
ChEMBL
CHEMBL3248210
UNII
32L8XG37J4
EC Number
210-764-9
Nikkaji
J42.017D

물성

구조 계산 물성

XLogP
2.6
극성 표면적
23.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
9

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.42

물리화학적 성질

녹는점
110 · 110-115 °C(lit.)
끓는 점
235 · 235-237 °C(lit.)
밀도
1 · 1,562 g/cm3
굴절률
1.5999 · 1.5999 (estimate)
인화점
130 °C · 130°C
저장 조건
Sealed in dry,Room Temperature

화학적 성질

4-Bromobenzonitrile is white to light yellow powder or flakes

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (91.2%): Toxic if swallowed [Danger Acute toxicity, oral]

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

Aggregated GHS information provided per 57 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 04-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25590

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

Hazard Classes and CategoriesAcute Tox. 3 (91.2%)

안전 데이터

wgk
2
rtecs
DI2460000
ridadr
UN 3439 6.1/PG 3
HS 번호
29269095
risk_code
22-36/37/38-20/21/22
hazard_code
Xn,T,Xi

화학 및 산업

응용 분야 · 1건

용도4-Bromobenzonitrile is used as reagents and solvents. Reaction of 2-propanol, 4-bromobenzonitrile, and NaH in the presence of 1.5 mol % Pd2(dba)3 and 3 mol % (S)-(-)2,2-bis(di-p-tolylphosphino)- 1,1-binaphthyl at 50°C afforded 4-isopropoxy- benzonitrile in 80% isolated yield. The synthesis of 4-cyanobiphenyl at room temperature in a flow injection microreactor, using a supported catalyst, without the addition of a base gave a product yield of 67±7% (n=6). This was achieved by injecting 4-bromobenzonitrile. The 3-arylation of 2,5-dimethylthiophene with 4-bromopropiophenone, 4-trifluoromethylbromobenzene or 4-bromobenzonitrile gave 3-5 in only 38-50% yields in Palladium-catalysed direct 3-or 4-arylation of thiophene derivatives using aryl bromides.

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]
山东兴润达化工有限公司0534-18615348689 18615348689

관련 반응

315건

연결된 노트

불러오는 중…