CAS 24279-39-8 4-Amino-3,5-dichlorobenzotrifluoride (HCID 141094)

이름 및 식별자

우선 이름: 4-Amino-3,5-dichlorobenzotrifluoride
IUPAC: 2,6-dichloro-4-(trifluoromethyl)aniline
영어명: 4-Amino-3,5-dichlorobenzotrifluoride
분자식: C7H4Cl2F3N
분자량: 230.01

이름 및 동의어

24279-39-84-Amino-3,5-dichlorobenzotrifluoride2,6-dichloro-4-trifluoromethylanilineDTXSID30179011EC 416-430-0RefChem:517726DTXCID60101502416-430-0607-349-32,6-Dichloro-4-(trifluoromethyl)anilineMFCD000529182,6-dichloro-4-(trifluoromethyl)phenylamine

이름 더 보기

2,6-dichloro-4-Trifluoromethyllaniline2,6-Dichloro-4-trifluoromethyl-phenylamineBUTTPARK 29\06-100TIMTEC-BB SBB0032834-Amino-3,5-dichloroSorafenib Tosylate Impurity 1444-amino-3,5-dichlorotrifluorotoluene

3,5-dichloro-4-aminobenzotrifluoride3,5-dichloro-4-amino benzotrifluorideBENZENAMINE, 2,6-DICHLORO-4-(TRIFLUOROMETHYL)-Toluidine, 2,6-dichloro-a,a,a-trifluoro- (8CI); 2,6-Dichloro-4-(trifluoromethyl)benzenamine; 2,6-Dichloro-4-trifluoromethylaniline; 4-Amino-3,5-dichlorobenzotrifluoride4-(trifluoromethyl)-2,6-dichloroanilineSCHEMBL9672202,6-DICHLORO-4-(TRIFLUOROMETHYL)-BENZENAMINESCHEMBL6378825

데이터베이스 식별자

CAS: 24279-39-8
PubChem CID: 141094
DTXSID: DTXSID30179011
EC Number: 416-430-0、607-349-3
Nikkaji: J2.434.002C

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 13
형식 전하: 0
복잡도: 173

실험 및 물리화학적 성질

PFAS · 2건

PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds

PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

물리화학적 성질

녹는점: 34 · 34-36 °C(lit.)
끓는 점: 60 · 60-62 °C1 mm Hg(lit.)
밀도: 1.532 g/mL · 1.532 g/mL at 25 °C(lit.)
인화점: 190 °F · 190 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to lump
산도 계수 (pKa): -1.13 · -1.13±0.10(Predicted)
Specific Gravity: 1.532 · 1.532
색상: White to Orange to Green
BRN: 2838819 · 2838819
InChI: InChI=1S/C7H4Cl2F3N/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2H,13H2
InChIKey: ITNMAZSPBLRJLU-UHFFFAOYSA-N
SMILES: C1(N)=C(Cl)C=C(C(F)(F)F)C=C1Cl

화학적 성질

light yellow low melting crystalline mass or

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P332+P317, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P332+P317, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory InformationStatus: Active Update: 30-09-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/6307

Hazard Classes and Categories · 4건

Acute Tox. 4 (100%)

Acute Tox. 4 (97.8%)

Acute toxicity - category 4

Acute Tox. 4 *

안전 데이터

wgk: 3
ridadr: UN 3077 9/PG 3
HS 번호: 29214300
risk_code: 20/22-38-43-50/53
hazard_code: Xn,N,T
safety_code: 24-37-60-61
포장분류: III
위험 등급: 9
위험 참고 사항: Toxic
Hazard Classifications: Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Skin Sens. 1
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도2,6-Dichloro-4-(trifluoromethyl)aniline may be employed for the synthesis of 1-[2,6-di-chloro-4-(tri-fluoro-methyl)-phenyl]-5-[(4-nitro-phenyl)-methyl-ene-imino]-1H-pyrazole-3-carbo-nitrile.