CAS 16532-79-9 Benzeneacetonitrile, 4-bromo- (HCID 27914)

이름 및 식별자

우선 이름: Benzeneacetonitrile, 4-bromo-
IUPAC: 2-(4-bromophenyl)acetonitrile
영어명: 4-Bromophenylacetonitrile
분자식: C8H6BrN
분자량: 196.04

이름 및 동의어

4-Bromophenylacetonitrile16532-79-92-(4-Bromophenyl)acetonitrile4-Bromobenzyl cyanideBenzeneacetonitrile, 4-bromo-p-Bromophenylacetonitrile4-Bromobenzylcyanidep-Bromobenzyl cyanide4-Bromobenzeneacetonitrile(4-bromophenyl)acetonitrilep-BromobenzylcyanideACETONITRILE, (p-BROMOPHENYL)-

이름 더 보기

PARA BROMO PHENYL ACETONITRILEPBPANp-Bromobenzyl4-bromocyanideThebenzylbroMideP-bromoacetonitrile4-BroMobenzylnitrile

NSC 84174EINECS 240-602-2BRN 1861069DTXSID60517744-09-00-01683 (Beilstein Handbook Reference)RefChem:562964DTXCID5030329240-602-2

데이터베이스 식별자

CAS: 16532-79-9
PubChem CID: 27914
DTXSID: DTXSID6051774
EC Number: 240-602-2
Nikkaji: J31.183I

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 139

물리화학적 성질

녹는점: 47 · 47-49 °C (lit.)
끓는 점: 116 · 116-118°C 3mm
밀도: 1.49 · 1.49
굴절률: 1.655 · 1.6550 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(아껴서), 에틸아세테이트(아껴서)에 용해됨
물리적 상태: 결정질 덩어리
색상: 무색~엷은 갈색
수용성: 약간 용해됨
BRN: 1861069 · 1861069
InChI: 1S/C8H6BrN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2
InChIKey: MFHFWRBXPQDZSA-UHFFFAOYSA-N
SMILES: Brc1ccc(CC#N)cc1
NIST: 4 · Benzeneacetonitrile, 4-bromo-(16532-79-9)
EPA: 4 · 4-Bromobenzyl cyanide (16532-79-9)

화학적 성질

colorless to pale brown crystalline mass

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (77%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, 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 61 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

T - indicates a substance that is the subject of a final TSCA section 4 test rule.

Status: Active Update: 10-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27383

Hazard Classes and CategoriesAcute Tox. 3 (77%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: AL8090000
ridadr: 3276
HS 번호: 29269090
risk_code: 20/21/22-36/37/38-20/21/22/36/37/39
hazard_code: Xn,Xi
safety_code: 26-36/37/39-38-26/36/37/39
포장분류: III
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzeneacetonitrile, 4-bromo-: INACTIVE

응용 분야

용도4-Bromophenylacetonitrile is a chemical model used for the study and analysis of human buccal absorption of pharmaceuticals.

일반 설명4-Bromophenylacetonitrile undergoes reduction using 1,1,3,3-tetramethyldisiloxane activated by a non-toxic titanium(IV) isopropoxide to yield 4-bromophenylethylamine.

상·하류 제품 정보

하류 제품

7-Bromo-1,2,3,4-tetrahydro-isoquinoline 4-Biphenylacetonitrile 2(4'-Bromophenyl)-2',4',6'-trihydroxyacetophenone 2-(4-BroMo-페닐)-3-메틸-부티로니트릴 알파-(4-브로모페닐)피리딘-2-아세토니트릴 5-(4-브로모-벤질)-2H-테트라졸 2-(4-브로모-페닐)-N-하이드록시-아세트아미딘 ethyl 3-(4-bromophenyl)-7-hydroxy-4-oxo-4H-chromene-2-carboxylate 4-(1H-피라졸-1-일)페닐]아세토니트릴

공급사102 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]

上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

화합물 노트

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Benzeneacetonitrile, 4-bromo-

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