m-Trifluoromethylphenylacetonitrile (HCID 75360)

이름 및 식별자

우선 이름: m-Trifluoromethylphenylacetonitrile
IUPAC: 2-[3-(trifluoromethyl)phenyl]acetonitrile
영어명: 3-Trifluoromethylbenzylcyanide
분자식: C9H6F3N
분자량: 185.15

이름 및 동의어

2338-76-33-(Trifluoromethyl)phenylacetonitrile2-[3-(trifluoromethyl)phenyl]acetonitrileBenzeneacetonitrile, 3-(trifluoromethyl)-m-Trifluoromethylphenylacetonitrile3-(Trifluoromethyl)benzyl cyanidem-Trifluoromethylbenzyl cyanide[3-(Trifluoromethyl)phenyl]acetonitrile3-(Trifluoromethyl)benzeneacetonitrile1-(3-(trifluoromethyl)phenyl)acetonitrile3-Trifluormethylbenzylcyanidem-(Trifluoromethyl)benzylcyanide

이름 더 보기

3-TRIFLUOROMETHYLBENZYLNITRILETrifluoromethyl benzene acetonitrile3-(Trifluoromethyl)ohenylacetonitrileM-(TRIFLUOROMETHYL)PHENYLACETONITRILE(a,a,a-Trifluoro-m-tolyl)acetonitrileMETA-TRIFLUOROMETHYLPHENYLACETONITRILE

BRN 0909640EINECS 219-053-8Z3BI56GK28Acetonitrile, (.alpha.,.alpha.,.alpha.-trifluoro-m-tolyl)-2-(3-(trifluoromethyl)phenyl)acetonitrile(.alpha.,.alpha.,.alpha.-Trifluoro-m-tolyl)acetonitrile(3-(TRIFLUOROMETHYL)PHENYL)ACETONITRILEAcetonitrile, (alpha,alpha,alpha-trifluoro-m-tolyl)-

데이터베이스 식별자

CAS: 2338-76-3
PubChem CID: 75360
DTXSID: DTXSID9044617
ChEMBL: CHEMBL3560055
UNII: Z3BI56GK28
EC Number: 219-053-8
Nikkaji: J31.179K

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 213

실험 및 물리화학적 성질

Collision Cross Section129.1 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID9044617]

물리화학적 성질

끓는 점: 92 · 92-93 °C4 mm Hg(lit.)
밀도: 1.187 g/mL · 1.187 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.4565(lit.)
인화점: 120 °F · 120 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
Specific Gravity: 1.187 · 1.187
BRN: 909640 · 909640
InChI: InChI=1S/C9H6F3N/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-3,6H,4H2
InChIKey: JOIYKSLWXLFGGR-UHFFFAOYSA-N
SMILES: C1(CC#N)=CC=CC(C(F)(F)F)=C1
NIST: 3 · Benzeneacetonitrile, 3-(trifluoromethyl)-(2338-76-3)
EPA: 3 · Benzeneacetonitrile, 3-(trifluoromethyl)- (2338-76-3)

화학적 성질

CLEAR YELLOW-BROWN LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (91.8%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 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 CategoriesFlam. Liq. 3 (91.8%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: CY1820000
ridadr: UN 1993 3/PG 3
HS 번호: 29269090
risk_code: 10-20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 16-26-27-36/37/39
포장분류: III
위험 등급: 3
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzeneacetonitrile, 3-(trifluoromethyl)-: ACTIVE

응용 분야

용도3-(Trifluoromethyl)phenylacetonitrile may be used in chemical synthesis studies.

상·하류 제품 정보

상류 원료

하류 제품

Methyl 3-(trifluoromethyl)phenylacetate Amino-(3-trifluoromethyl-phenyl)-acetic acid 3-(트리플루오로메틸)페네틸아민 2-[3-(Trifluoromethyl)phenyl]ethanethioamide, 3-(2-Amino-2-thioxoethyl)benzotrifluoride

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

연결된 노트

불러오는 중…

m-Trifluoromethylphenylacetonitrile

기본 정보