플로로벤질시아나드

Benzeneacetonitrile, 2-fluoro-

HCID 67592

기본 정보

CAS
326-62-5
표준 SMILES
N#CCc1ccccc1F
InChIKey
DAVJMKMVLKOQQC-UHFFFAOYSA-N
분자식
C8H6FN
평균 분자량
135.14 g/mol
단동위원소 질량
135.04842736

이름 및 식별자

우선 이름
Benzeneacetonitrile, 2-fluoro-
IUPAC
2-(2-fluorophenyl)acetonitrile
현지명
플로로벤질시아나드
영어명
2-Fluorobenzyl cyanide
분자식
C8H6FN
분자량
135.14

이름 및 동의어

326-62-52-Fluorophenylacetonitrileo-FluorophenylacetonitrileBenzeneacetonitrile, 2-fluoro-o-Fluorobenzyl cyanideAcetonitrile, (o-fluorophenyl)-2-FLUOROBENZENEACETONITRILEEINECS 206-313-0NSC 88280DTXSID1059810RefChem:562953DTXCID0038540
이름 더 보기
플로로벤질시아나드2-플루오로페닐아세토나이트릴Endothelin 1,TFAo-Fluorobenzyl nitrile2-Fluorophenylacetonitr2-FluorobenzylCyanide>2-Fluoroethylene nitrile2-Fluorophdnylacetonitrile
206-313-0InChI=1/C8H6FN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2-(2-fluorophenyl)acetonitrile2-Fluorobenzyl cyanide(2-fluorophenyl)acetonitrileMFCD000018972-(2-fluorophenyl)ethanenitrileNCIOpen2_001403

데이터베이스 식별자

CAS
326-62-5
PubChem CID
67592
DTXSID
DTXSID1059810
EC Number
206-313-0
Nikkaji
J193.744H

물성

구조 계산 물성

XLogP
1.9
극성 표면적
23.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
10

물리화학적 성질

끓는 점
114 · 114-117 °C/20 mmHg (lit.)
밀도
1.059 g/mL · 1.059 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.5009(lit.)
인화점
110 °F · 110 °F
저장 조건
Sealed in dry,Room Temperature
물리적 상태
투명한 액체

화학적 성질

clear colorless to yellow-brownish liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H226 (10.6%): Flammable liquid and vapor [Warning Flammable liquids];H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (97.9%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (97.9%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (87.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (10.6%);Acute Tox. 4 (97.9%);Acute Tox. 4 (97.9%);Skin Irrit. 2 (97.9%);Eye Irrit. 2 (97.9%);Acute Tox. 4 (97.9%);STOT SE 3 (87.2%)

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 1993 3/PG 3
HS 번호
29269090
risk_code
10-20/21/22-36/37/38
hazard_code
Xn,T,Xi,F

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzeneacetonitrile, 2-fluoro-: INACTIVE

응용 분야

용도2-Fluorophenylacetonitrile was used in the synthesis of (Z)-2-(2-fluorophenyl)-3-(1H-pyrrol-2-yl)acrylonitrile.

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
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]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

관련 반응

36건

화합물 노트

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CAS 326-62-5 Benzeneacetonitrile, 2-fluoro- (HCID 67592)|Huagongshe