CAS 85070-67-3 2-Fluoro-4-methylbenzonitrile (HCID 2778443)

이름 및 식별자

우선 이름: 2-Fluoro-4-methylbenzonitrile
IUPAC: 2-fluoro-4-methylbenzonitrile
영어명: 2-Fluoro-4-methylbenzonitrile
분자식: C8H6FN
분자량: 135.14

이름 및 동의어

2-Fluoro-4-methylbenzonitrile85070-67-3DTXSID40380934RefChem:260944DTXCID70331959678-781-84-Cyano-3-fluorotoluene2-fluoro-4-methyl-benzonitrileMFCD03094311BENZONITRILE, 2-FLUORO-4-METHYL-2-fluoro-4-methylbenzenecarbonitrile4-Methyl-2-fluorobenzonitrile

이름 더 보기

2-Fluoro-4-methylben2-Fluoro-4-methylbenzonitrile>Benzonitrile, 2-fluoro-4-methyl-2-Fluoro-4-methylbenzonitrile98%2-Fluoro-4-methylbenzonitrile 98%

2-Fluoro-p-tolunitrileSCHEMBL30985SCHEMBL5188692-Fluoro-4-methylbenzonitirileWCGNLBCJPBKXCN-UHFFFAOYSA-NAB2851SBB064084AKOS006229602

데이터베이스 식별자

CAS: 85070-67-3
PubChem CID: 2778443
DTXSID: DTXSID40380934
EC Number: 678-781-8
Nikkaji: J433.312H

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 158

물리화학적 성질

녹는점: 52 · 52-53°C
끓는 점: 219.6 · 219.6±20.0 °C(Predicted)
밀도: 1.11 · 1.11±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
색상: White to Orange to Green
수용성: 물에 불용성이며 클로로포름, 아세톤 및 기타 유기 용매에 용해됩니다.
InChI: InChI=1S/C8H6FN/c1-6-2-3-7(5-10)8(9)4-6/h2-4H,1H3
InChIKey: WCGNLBCJPBKXCN-UHFFFAOYSA-N
SMILES: C(#N)C1=CC=C(C)C=C1F

화학적 성질

Off white crystalline

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301+H311+H331 (16.7%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H301 (16.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (16.7%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H312 (83.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (16.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (33.3%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (83.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 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. 3 (16.7%)；Acute Tox. 4 (83.3%)；Acute Tox. 3 (16.7%)；Acute Tox. 4 (83.3%)；Skin Irrit. 2 (83.3%)；Eye Dam. 1 (16.7%)；Eye Irrit. 2 (83.3%)；Acute Tox. 3 (33.3%)；STOT SE 3 (83.3%)