CAS 60702-69-4 2-Chloro-4-fluorobenzonitrile (HCID 109000)

이름 및 식별자

우선 이름: 2-Chloro-4-fluorobenzonitrile
IUPAC: 2-chloro-4-fluorobenzonitrile
영어명: 2-Chloro-4-fluorobenzonitrile
분자식: C7H3ClFN
분자량: 155.56

이름 및 동의어

2-Chloro-4-fluorobenzonitrile60702-69-44-Fluoro-2-chlorobenzonitrileBenzonitrile, 2-chloro-4-fluoro-2R9WPL55Q8EINECS 262-384-8DTXSID30209524RefChem:86234DTXCID80132015262-384-8PGKPNNMOFHNZJX-UHFFFAOYSA-NMFCD00042523

이름 더 보기

2-Chlor-4-fluorbenzonitrilChloro-4-fluorobenzonitrile4-Fluoro-2-Chloro benzonitrile2-Chloro-4-fluorobenzonitrile99%2-Chloro-4-fluorobenzonitrile 99%2-Chloro-4-fluorobenzonitrile >2-chloro-4-fluorobenzenecarbonitrile2-chloro-4-fluoro-benzonitrile, 98%min

2-chloro-4-fluoro-benzonitrile2-chloro-4fluorobenzonitrileUNII-2R9WPL55Q82-chloro-4-florobenzonitrile4-fluoro-(2-chloro)benzonitrile2-chloro-4-fluorobenzenecarbonitrile2-Chloro-4-fluorobenzonitrile, 99%CS-W018016

데이터베이스 식별자

CAS: 60702-69-4
PubChem CID: 109000
DTXSID: DTXSID30209524
UNII: 2R9WPL55Q8
EC Number: 262-384-8
Nikkaji: J268.268K

물성

구조 계산 물성

XLogP: 2.4
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: 162

물리화학적 성질

녹는점: 64 · 64-66 °C(lit.)
끓는 점: 233.4 · 233.4±20.0 °C(Predicted)
밀도: 1.376 · 1.3760 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
BRN: 6323034 · 6323034
InChI: InChI=1S/C7H3ClFN/c8-7-3-6(9)2-1-5(7)4-10/h1-3H
InChIKey: PGKPNNMOFHNZJX-UHFFFAOYSA-N
SMILES: C(#N)C1=CC=C(F)C=C1Cl
NIST: 2 · 2-Chloro-4-fluorobenzonitrile(60702-69-4)

화학적 성질

semi-transparent crystalline chunks

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (91.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (91.7%)

안전 데이터

wgk: 3
ridadr: 3439
HS 번호: 29269090
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36-36/37/39
포장분류: III
위험 등급: 6.1
위험 참고 사항: Harmful/Irritant
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

개요2-Chloro-4-fluorobenzonitrile is an organohalogen compound that can be used for aryl dechlorination and defluorination reactions using organic super photoreductants. The use of a light emitting diode to directly excite the super electron donor tetrakis(dimethylamino)ethylene (TDAE) at 440 or 390 nm provides a quantitative reductant capable of reducing aryl chlorides and fluorides. The photoactive excited state lifetime of TDAE in cyclohexane is 17.3 ns at room temperature, with an oxidation potential of about -3.4 V for SCE.

용도2-Chloro-4-fluorobenzonitrile may be used in the preparation of 2-chloro-3,4-diaminobenzonitrile.