3,5-비스(트리플로오르메틸)아닐린

Benzenamine, 3,5-bis(trifluoromethyl)-

HCID 9480CAS 328-74-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey: CDIDGWDGQGVCIB-UHFFFAOYSA-N
분자식: C8H5F6N
평균 분자량: 229.12 g/mol
단동위원소 질량: 229.03261848

이름 및 식별자

우선 이름: Benzenamine, 3,5-bis(trifluoromethyl)-
IUPAC: 3,5-bis(trifluoromethyl)aniline
현지명: 3,5-비스(트리플로오르메틸)아닐린
영어명: 3,5-Bis(trifluoromethyl)aniline
분자식: C8H5F6N
분자량: 229.12

이름 및 동의어

3,5-BIS(TRIFLUOROMETHYL)ANILINE328-74-5Benzenamine, 3,5-bis(trifluoromethyl)-3,5-Bis(trifluoromethyl)benzenamine3,5-Bis-trifluoromethyl-phenylamineBRN 0654318AI3-17666EINECS 206-335-0DTXSID10598143,5-Xylidine, alpha,alpha,alpha,alpha,alpha,alpha-hexafluro-3-12-00-02498 (Beilstein Handbook Reference)RefChem:117213

이름 더 보기

3,5-비스(트리플로오르메틸)아닐린3,5-비스(트라이플루오로메틸)아닐린3,5-비스(트리플루오로메틸)아닐린MBT-NH23,5-Bis(TrifluoroAKOS BBS-00003710TIMTEC-BB SBB0006903,5-Di(trifluorometh3,5-difluoromethylaniline3,5-Bis(trifluormethyl)aniline3,5-BIS(TRIFLUOROMETHYL)AMILINE3,5-bis(trifluoromethyl)-anilin

DTXCID2038576CDIDGWDGQGVCIB-UHFFFAOYSA-N3,5-Di(trifluoromethyl)anilineMFCD00000394Aniline, 3,5-bis(trifluoromethyl)-alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-3,5-xylidineNSC 3411NSC3411

데이터베이스 식별자

CAS: 328-74-5
PubChem CID: 9480
DTXSID: DTXSID1059814
UNII: LLV6H6898J
EC Number: 206-335-0
Nikkaji: J5.676F

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 0
무거운 원자 수: 15
형식 전하: 0
복잡도: 198

실험 및 물리화학적 성질

LogP3.57

물리화학적 성질

녹는점: 168.2 · 168.2-169.2 °C
끓는 점: 85 °C15 · 85 °C15 mm Hg(lit.)
밀도: 1.467 g/mL · 1.467 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.434(lit.)
인화점: 182 °F · 182 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 액체
산도 계수 (pKa): 2.15 · 2.15±0.10(Predicted)
Specific Gravity: 1.473 · 1.473
색상: 투명하고 연한 노란색에서 황갈색까지
수용성: 물과 섞이지 않습니다.
BRN: 654318 · 654318
InChI: 1S/C8H5F6N/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3H,15H2
InChIKey: CDIDGWDGQGVCIB-UHFFFAOYSA-N
SMILES: Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
NIST: 3 · Benzenamine, 3,5-bis(trifluoromethyl)-(328-74-5)
EPA: 3 · Benzenamine, 3,5-bis(trifluoromethyl)- (328-74-5)

화학적 성질

clear light yellow to yellow-brown liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (15.1%): 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 53 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (15.1%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: ZE9800000
ridadr: 2810
HS 번호: 29214910
risk_code: 33-36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-36
포장분류: III
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenamine, 3,5-bis(trifluoromethyl)-: ACTIVE

상·하류 제품 정보

상류 원료

톨루엔 질산

하류 제품

5,7-BIS(트리플루오로메틸)-4-히드록시퀴놀린 5,7-BIS(TRIFLUOROMETHYL)-4-CHLOROQUINOLINE IMD-0354 4-HYDROXY-5,7-BIS-TRIFLUOROMETHYL-QUINOLINE-3-CARBOXYLICACID에틸에스테르 5,7-BIS(TRIFLUOROMETHYL)-4-HYDROXYQUINOLINE-3-CARBOXYLIC ACID 3,5-Bis(trifluoromethyl)phenol 3,5-비스(트리플루오로메틸)벤젠디아조늄 3,5-BIS(트리플루오로메틸)-N-(브로모아세틸)아닐린 tert-butyl 3,5-bis(trifluoromethyl)phenylcarbamate 2-(2-[3,5-BIS(트리플루오로메틸)페닐]히드라조노)말로노니트릴 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea, 97%N1-메틸-3,5-디(트리플루오로메틸)아닐린

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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]

上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

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