4-트리플루오로메틸-티아졸-2-일라민

2-Thiazolamine, 4-(trifluoromethyl)-

HCID 1201417

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 349-49-5
표준 SMILES: Nc1nc(C(F)(F)F)cs1
InChIKey: OVMGTNMCYLZGLS-UHFFFAOYSA-N
분자식: C4H3F3N2S
평균 분자량: 168.14 g/mol
단동위원소 질량: 167.99690376

이름 및 식별자

우선 이름: 2-Thiazolamine, 4-(trifluoromethyl)-
IUPAC: 4-(trifluoromethyl)-1,3-thiazol-2-amine
현지명: 4-트리플루오로메틸-티아졸-2-일라민
영어명: 4-Trifluoromethyl-thiazol-2-ylamine
분자식: C4H3F3N2S
분자량: 168.14

이름 및 동의어

349-49-54-(Trifluoromethyl)-2-thiazolamine2-Thiazolamine, 4-(trifluoromethyl)-DTXSID80188451RefChem:483720DTXCID101109424-(trifluoromethyl)thiazol-2-amine4-(trifluoromethyl)-1,3-thiazol-2-amine2-Amino-4-trifluoromethylthiazole4-Trifluoromethyl-thiazole-2ylamine2-amino-4-trifluoromethyl-1,3-thiazole2-amino-4-(trifluoromethyl)thiazole

이름 더 보기

4-트리플루오로메틸-티아졸-2-일라민2-Amino-4-trifluoromethyl-thiazol-TRIFLUOROMETHYL-THIAZOL-2-YLAMINE2-Amino-4-trifluoromethylthiazole HBr

4-trifluoromethylthiazole-2ylamine4-trifluoromethyl-thiazol-2-ylamineMFCD008327594-trifluoromethyl-thiazol-2ylamine2-Amino-4-(trifluoromethyl)-1,3-thiazole4-(trifluoromethyl)-1,3-thiazole-2-ylamineSCHEMBL245790SCHEMBL17581106

데이터베이스 식별자

CAS: 349-49-5
PubChem CID: 1201417
DTXSID: DTXSID80188451
EC Number: 671-488-6
Nikkaji: J417.145D

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 67.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 126

물리화학적 성질

녹는점: 60 · 60-62°C
끓는 점: 125 · 125-128 °C(Press: 22 Torr)
밀도: 1.557 · 1.557±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 결정질 고체
산도 계수 (pKa): 1.9 · 1.90±0.10(Predicted)
색상: 노란색
InChI: InChI=1S/C4H3F3N2S/c5-4(6,7)2-1-10-3(8)9-2/h1H,(H2,8,9)
InChIKey: OVMGTNMCYLZGLS-UHFFFAOYSA-N
SMILES: S1C=C(C(F)(F)F)N=C1N

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Sens. 1 (97.6%)

안전 데이터

wgk: 3
ridadr: UN2811
HS 번호: 2934100090
risk_code: 20/21/22-36/37/38-43-36
hazard_code: Xi,Xn
safety_code: 26-36/37/39-36/37
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도4-(Trifluoromethyl)-2-thiazolamine can be used to prepare phenethylthiazolylthiourea analogs as HIV-1 reverse transcriptase inhibitors. 4-(Trifluoromethyl)-2-thiazolamine can also be used to synthesize 2-amino benzamide derivatives as allosteric glucokinase activators.