기본 정보
- CAS
445-03-4- 표준 SMILES
Nc1ccc(Cl)cc1C(F)(F)F- InChIKey
CVINWVPRKDIGLL-UHFFFAOYSA-N- 분자식
- C7H5ClF3N
- 평균 분자량
- 195.57 g/mol
- 단동위원소 질량
- 195.0062615
이름 및 식별자
- 우선 이름
- Benzenamine, 4-chloro-2-(trifluoromethyl)-
- IUPAC
- 4-chloro-2-(trifluoromethyl)aniline
- 현지명
- 4-클로로-알파,알파,알파-트리플루오로-o-톨루딘
- 영어명
- 2-Amino-5-chlorobenzotrifluoride
- 분자식
- C7H5ClF3N
- 분자량
- 195.57
이름 및 동의어
Benzenamine, 4-chloro-2-(trifluoromethyl)-2-Trifluoromethyl-4-chloroanilineEINECS 207-151-3EC 207-151-3RefChem:5618814-Chloro-2-(trifluoromethyl)aniline445-03-42-Amino-5-chlorobenzotrifluoride4-Chloro-2-trifluoromethylanilineMFCD000078415-Chloro-2-aminobenzotrifluorideTriflumizole Metabolite Fa-1-1
이름 더 보기
4-클로로-알파,알파,알파-트리플루오로-o-톨루딘2-아미노-5-클로로벤조트라이플루오라이드FA-1-1C.I. 370555-Chloro-2-aminoAKOS BBS-00003624TIMTEC-BB SBB0003455-Chloro-2-aminobenzFast Scarlet Base VD
o-Toluidine, 4-chloro-.alpha.,.alpha.,.alpha.-trifluoro-4-chloro-2-(trifluoromethyl)phenylamine4-?Chloro-?2-?(trifluoromethyl)?aniline; 2-?Amino-?5-?chlorobenzotrifluoride; 4-Chloro-|A,|A,|A-trifluoro-o-toluidineFast Scarlet VD SaltScarlet Salt NVDFast Scarlet Salt VDDiazo Fast Scarlet VDSCHEMBL184916
데이터베이스 식별자
- CAS
445-03-4- PubChem CID
- 67961
- DTXSID
DTXSID6060000- EC Number
- 207-151-3
- Nikkaji
- J1.533D
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 26 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 159
실험 및 물리화학적 성질
PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
물리화학적 성질
- 녹는점
- 8.8 °C · 8.8 °C
- 끓는 점
- 66 · 66-67 °C3 mm Hg(lit.)
- 밀도
- 1.386 g/mL · 1.386 g/mL at 25 °C(lit.)
- 증기압
- 48.5 · 48.5-1013hPa at 110.5-208.2℃
- 굴절률
- 20 · n20/D 1.507(lit.)
- 인화점
- 203 °F · 203 °F
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 0.83 · 0.83±0.10(Predicted)
- 물리적 상태
- 투명한 액체
- 색상
- Colorless to Orange to Green
- Specific Gravity
- 1.386 · 1.386
- 수소이온지수(pH)
- 7.4 at · 7.4 at 20℃ and 995mg/L
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (96%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, 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 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationStatus: Cease Manufacture Update: 19-12-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/12399
Hazard Classes and CategoriesAcute Tox. 4 (96%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 2810
- HS 번호
- 29214300
- risk_code
- 20/21/22-33-36/37/38-41-22
- hazard_code
- Xn,Xi
- safety_code
- 26-36-37/39
- 포장분류
- III
- 위험 등급
- 6.1
- 기존화학 물질
- 97-3-49
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT RE 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing InformationBenzenamine, 4-chloro-2-(trifluoromethyl)-: INACTIVE
응용 분야
용도4-Chloro-2-(trifluoromethyl)aniline was used in the synthesis of 2-amino-5-chloro 3-(trifluoromethyl)benzenethiol.
일반 설명Fourier-transform (FT) infrared and FT-Raman spectra of 4-chloro-2-(trifluoromethyl) aniline has been studied.
제조 방법
Preparationofthechromophore : 4-Chloro-2-(trifluoromethyl)benzenammeand 4-Chloro-1-nitro-2-(trifluoromethyl)benzene reduction.
상·하류 제품 정보
상류 원료
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