3-Fluoro-4-nitrobenzonitrile

HCID 2783399

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 218632-01-0
표준 SMILES: N#Cc1ccc([N+](=O)[O-])c(F)c1
InChIKey: OZXCOGPRBUSXLE-UHFFFAOYSA-N
분자식: C7H3FN2O2
평균 분자량: 166.11 g/mol
단동위원소 질량: 166.0178555

이름 및 식별자

우선 이름: 3-Fluoro-4-nitrobenzonitrile
IUPAC: 3-fluoro-4-nitrobenzonitrile
영어명: 3-Fluoro-4-nitrobenzonitrile
분자식: C7H3FN2O2
분자량: 166.11

이름 및 동의어

3-Fluoro-4-nitrobenzonitrile218632-01-0DTXSID20382638RefChem:279449DTXCID00333663691-808-8Benzonitrile, 3-fluoro-4-nitro-3-fluoro-4-nitro-benzonitrile4-Cyano-2-fluoro-1-nitrobenzeneMFCD049734173-Fluoro 4-nitrobenzonitrileAKOS005255213

이름 더 보기

3-FLUORO-4-NITROBENZONITRIE4-Cyano-2-fluoronitrobenzene3-Fluoro-4-nitrobenzonitrile 99%

3-fluoro-4-nitrobenzenecarbonitrileFT-0600895L9KY4L6VCESCHEMBL3941723-Fluoro-4-Nitro BenzonitrileSCHEMBL29717198ALBB-0378743-Fluoro-4-nitrobenZonitrile, 95%

데이터베이스 식별자

CAS: 218632-01-0
PubChem CID: 2783399
DTXSID: DTXSID20382638
UNII: L9KY4L6VCE
EC Number: 691-808-8

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 69.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 229

물리화학적 성질

녹는점: 72 · 72-73°C
끓는 점: 316.4 · 316.4±27.0 °C(Predicted)
밀도: 1.41 · 1.41±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
InChI: InChI=1S/C7H3FN2O2/c8-6-3-5(4-9)1-2-7(6)10(11)12/h1-3H
InChIKey: OZXCOGPRBUSXLE-UHFFFAOYSA-N
SMILES: C(#N)C1=CC=C([N+]([O-])=O)C(F)=C1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (25%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 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 CategoriesAcute Tox. 4 (25%)；Acute Tox. 4 (25%)；Skin Corr. 1B (50%)；Skin Irrit. 2 (50%)；Eye Dam. 1 (25%)；Eye Irrit. 2 (50%)；Acute Tox. 4 (25%)；STOT SE 3 (50%)