5-(Aminomethyl)-2-fluorobenzonitrile

HCID 18616197

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 368426-86-2
표준 SMILES: N#Cc1cc(CN)ccc1F
InChIKey: VRSKZZIXPDVEFN-UHFFFAOYSA-N
분자식: C8H7FN2
평균 분자량: 150.15 g/mol
단동위원소 질량: 150.05932639

이름 및 식별자

우선 이름: 5-(Aminomethyl)-2-fluorobenzonitrile
IUPAC: 5-(aminomethyl)-2-fluorobenzonitrile
영어명: 5-(Aminomethyl)-2-fluorobenzonitrile
분자식: C8H7FN2
분자량: 150.15

이름 및 동의어

5-(AMINOMETHYL)-2-FLUOROBENZONITRILE368426-86-2DTXSID40595147RefChem:300187DTXCID90545910689-091-15-Aminomethyl-2-fluorobenzonitrileMFCD099081975-Aminomethyl-2-fluoro-benzonitrileBENZONITRILE, 5-(AMINOMETHYL)-2-FLUORO-5-(aminomethyl)-2-fluoro-benzonitrile5-(aminomethyl)-2-fluorobenzenecarbonitrile

이름 더 보기

3-Cyano-4-fluorobenzylamine3-Cyano-4-fluorobenzylamine hydrochlorideBenzonitrile, 5-(aminomethyl)-2-fluoro- (9CI)5-(AMINOMETHYL)-2-FLUOROBENZONITRILE(WX191678)

SCHEMBL51299SCHEMBL31126027VRSKZZIXPDVEFN-UHFFFAOYSA-NSBB0642053-CYANO-4-FLUOROBENZYL AMINEAKOS015855159SB76399AS-82679

데이터베이스 식별자

CAS: 368426-86-2
PubChem CID: 18616197
DTXSID: DTXSID40595147
EC Number: 689-091-1

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 49.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 172

물리화학적 성질

끓는 점: 264.2 °C · 264.2°C
밀도: 1.2 · 1.20
인화점: 114 °C · 114°C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: solid
산도 계수 (pKa): 8.51 · 8.51±0.10(Predicted)
InChI: 1S/C8H7FN2/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3H,4,10H2
InChIKey: VRSKZZIXPDVEFN-UHFFFAOYSA-N

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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 CategoriesSkin Irrit. 2 (100%)；Skin Sens. 1 (50%)；Eye Irrit. 2 (100%)；STOT SE 3 (50%)

안전 데이터

wgk: WGK 3
HS 번호: 2926907090
hazard_code: Xi
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도5-Aminomethyl-2-fluorobenzonitrile is used in the synthesis thrombin inhibitors containing P3-heterocycles with P1-bicyclic arginine surrogates.

상·하류 제품 정보

하류 제품

tert-Butyl 3-cyano-4-fluorobenzylcarbamate

공급사37 곳

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

武汉布林科技有限公司3456065315 13260619011 · [email protected]

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

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