기본 정보
- CAS
320-47-8- 표준 SMILES
N#Cc1ccc([N+](=O)[O-])cc1C(F)(F)F- InChIKey
AGKQJEFSEQHGTA-UHFFFAOYSA-N- 분자식
- C8H3F3N2O2
- 평균 분자량
- 216.12 g/mol
- 단동위원소 질량
- 216.014662
이름 및 식별자
- 우선 이름
- 4-Nitro-2-(trifluoromethyl)benzonitrile
- IUPAC
- 4-nitro-2-(trifluoromethyl)benzonitrile
- 영어명
- 4-NITRO-2-(TRIFLUOROMETHYL)BENZONITRILE
- 분자식
- C8H3F3N2O2
- 분자량
- 216.12
이름 및 동의어
4-Nitro-2-(trifluoromethyl)benzonitrile320-47-82-Cyano-5-nitrobenzotrifluorideBenzonitrile, 4-nitro-2-(trifluoromethyl)-WZK23R6C2VDTXSID50379692RefChem:100014DTXCID00330718623-803-3MFCD010757292-(trifluoromethyl)-4-nitrobenzonitrileSCHEMBL2853583
이름 더 보기
BUTTPARK 91\04-59Enzalutamide EZL-imH2-Cyano-5-nitrobenzotrEnzalutamide Impurity 244-Nitro-2-(Trifluoromethyl)Ben2-Cyano-5-nitrobenzotrifluoride98%2-Cyano-5-nitrobenzotrifluoride 98%4-Nitro-2-trifluoromethylbenzotrile-Nitro-2-(trifluoromethyl)benzonitrile
CK2123AS-190644-Nitro-2-(trifluoromethyl)benzonitrile, 97%4-nitro-2-(trifluoromethyl)benzenecarbonitrile2-trifluoromethyl-4-nitrobenzonitrileAM61899UNII-WZK23R6C2VA20982
데이터베이스 식별자
- CAS
320-47-8- PubChem CID
- 2775783
- DTXSID
DTXSID50379692- UNII
- WZK23R6C2V
- EC Number
- 623-803-3
- Nikkaji
- J2.597.574J
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 69.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 301
물리화학적 성질
- 녹는점
- 49 · 49-53 °C(lit.)
- 끓는 점
- 297.7 · 297.7±40.0 °C(Predicted)
- 밀도
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- powder to crystal
- 색상
- White to Yellow to Green
- BRN
- 2281014 · 2281014
- InChI
- 1S/C8H3F3N2O2/c9-8(10,11)7-3-6(13(14)15)2-1-5(7)4-12/h1-3H
- InChIKey
- AGKQJEFSEQHGTA-UHFFFAOYSA-N
- SMILES
- [O-][N+](=O)c1ccc(C#N)c(c1)C(F)(F)F
화학적 성질
white to light yellow crystal powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (11.1%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (11.1%)
안전 데이터
- wgk
- 3
- ridadr
- 3276
- HS 번호
- 29269090
- risk_code
- 36/37/38
- hazard_code
- Xi,T
- safety_code
- 26-36
- 포장분류
- III
- 위험 등급
- 6.1
- 위험 참고 사항
- Harmful
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도4-Nitro-2-(trifluoromethyl)benzonitrile is a benzonitrile derivative containing trifluoromethyl and nitro substituents at the 2 and 4 positions. It can be used as an electrochemical material for lithium ion battery research. In the field of organic synthesis, it is also used in the preparation of substituted phenoxyphenyl ketones, which can be further reacted to obtain substituted 1-[4-phenoxy-2-(haloalkyl)phenyl]-2-(1,2,4-triazol-1-yl)ethanol compounds.
공급사86 곳
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
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