CAS 658-99-1 (3,4-Difluorophenyl)acetonitrile (HCID 69572)

이름 및 식별자

우선 이름: (3,4-Difluorophenyl)acetonitrile
IUPAC: 2-(3,4-difluorophenyl)acetonitrile
영어명: 3,4-Difluorophenylacetonitrile
분자식: C8H5F2N
분자량: 153.13

이름 및 동의어

658-99-1(3,4-Difluorophenyl)acetonitrileEINECS 211-528-8DTXSID10215986RefChem:399293DTXCID40138477211-528-83,4-Difluorophenylacetonitrile2-(3,4-difluorophenyl)acetonitrile3,4-Difluorobenzyl cyanideBenzeneacetonitrile, 3,4-difluoro-MFCD00009974

이름 더 보기

3,4-DifluorobenzTIMTEC-BB SBB0066303,4-Difluorophenylac3,4-Difluorobenzeneacetonitrile3,4-Difluorophenylacetonitrile98%3,4-Difluorophenylacetonitrile,97%3,4-Difluorophenylacetonitrile 98%

SCHEMBL4353763,4-difluorophenyl acetonitrile2-(3,4-difluorophenyl)ethanenitrileDTXSID102(3,4-difluoro-phenyl)-acetonitrileSBB0066303,4-Difluorophenylacetonitrile, 98%AKOS005207087

데이터베이스 식별자

CAS: 658-99-1
PubChem CID: 69572
DTXSID: DTXSID10215986
EC Number: 211-528-8
Nikkaji: J205.955J

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 172

물리화학적 성질

끓는 점: 111 °C · 111°C 13mm
밀도: 1.244 g/mL · 1.244 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.4844(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
색상: Clear, dark yellow
Specific Gravity: 1.244 · 1.244
BRN: 2575714 · 2575714
InChI: 1S/C8H5F2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H2
InChIKey: GNPYERUNJMDEFQ-UHFFFAOYSA-N
SMILES: Fc1ccc(CC#N)cc1F

화학적 성질

Clear light yellow or bluish liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (97.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (97.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 46 reports by companies from 6 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 (97.8%)；Acute Tox. 4 (97.8%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (97.8%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
ridadr: 3276
HS 번호: 29269090
risk_code: 20/21/22-36/37/38
hazard_code: Xn,T
safety_code: 26-36-36/37
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: 10 - Combustible liquids