2,5-Difluorobenzonitrile

HCID 123558CAS 64248-64-2

기본 정보

표준 SMILES: N#Cc1cc(F)ccc1F
InChIKey: OJTMHIMQUQOLJV-UHFFFAOYSA-N
분자식: C7H3F2N
평균 분자량: 139.1 g/mol
단동위원소 질량: 139.02335554

이름 및 식별자

우선 이름: 2,5-Difluorobenzonitrile
IUPAC: 2,5-difluorobenzonitrile
영어명: 2,5-Difluorobenzonitrile
분자식: C7H3F2N
분자량: 139.1

이름 및 동의어

2,5-Difluorobenzonitrile64248-64-2Benzonitrile, 2,5-difluoro-DTXSID20214465EINECS 264-753-9RefChem:82846DTXCID20136956264-753-9OJTMHIMQUQOLJV-UHFFFAOYSA-NMFCD000017772,5-Difluoro-Benzonitrile2,5 difluorobenzonitrile

이름 더 보기

2,5-difluoro nitrile2,5-Difluorobenzonit2,5-Difluorobenzonitrle2,5-difluorobenzylnitrile2,5-Difluorobenzonitrile >2,5-Difluorobenzonitrile 98%2,5-Difluorobenzonitrile,99%2,5-Difluorobenzonitrile,98%

2,5 -difluorobenzonitrileSCHEMBL748072,5-difluorobenzenecarbonitrileCS-W016483AC-4060SB740712,5-DIFLUORO BENZONITRILE2.5-difluoro benzonitrile

데이터베이스 식별자

CAS: 64248-64-2
PubChem CID: 123558
DTXSID: DTXSID20214465
UNII: KV4R6B8YXU
EC Number: 264-753-9
Nikkaji: J208.420A

물성

구조 계산 물성

XLogP: 2
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 160

물리화학적 성질

녹는점: 33 · 33-35 °C (lit.)
끓는 점: 188 °C · 188 °C
밀도: 1.249 · 1.2490 (estimate)
인화점: 172 °F · 172 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to lump to clear liquid
색상: White or Colorles to Yellow to Orange
BRN: 2085640 · 2085640
InChI: 1S/C7H3F2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H
InChIKey: OJTMHIMQUQOLJV-UHFFFAOYSA-N
SMILES: Fc1ccc(F)c(c1)C#N
NIST: 2 · 2,5-Difluorobenzonitrile(64248-64-2)

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (93.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (93.6%)

안전 데이터

wgk: 3
ridadr: UN 1325 4.1/PG 2
HS 번호: 29269090
risk_code: 20/21/22-36/37/38
hazard_code: Xn,T,Xi
safety_code: 26-36/37/39-36/37
포장분류: III
위험 등급: 6.1
위험 참고 사항: Toxic
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 4.1B - Flammable solid hazardous materials