2-아미노-4-트리플루오로메틸-티아졸-5-카르복실산에틸에스테르

5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester

HCID 67656CAS 344-72-9
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCOC(=O)c1sc(N)nc1C(F)(F)F
InChIKey
XJRPTMORGOIMMI-UHFFFAOYSA-N
분자식
C7H7F3N2O2S
평균 분자량
240.21 g/mol
단동위원소 질량
240.01803312

이름 및 식별자

우선 이름
5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester
IUPAC
ethyl 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
현지명
2-아미노-4-트리플루오로메틸-티아졸-5-카르복실산에틸에스테르
영어명
2-Amino-4-trifluoromethyl-thiazole-5-carboxylic acid ethyl ester
분자식
C7H7F3N2O2S
분자량
240.2

이름 및 동의어

344-72-9ethyl 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester9WH6LMH3RANSC 4465BRN 4810691AI3-18593NSC-4465DTXSID0051491RefChem:103453DTXCID4030590CHEMBL-1890274
이름 더 보기
2-아미노-4-트리플루오로메틸-티아졸-5-카르복실산에틸에스테르AKOS B029496BUTTPARK 11\03-53TIMTEC-BB SBB005528Ethyl 2-amino-4-(trifluoromethyl)Ethyl-2-amino-4-trifluoromethylthiazolecarboxylate2-AMINO-4-(TRIFLUOROMETHYL)-5-(CARBETHOXY)THIAZOLEETHYL 2-AMINO-4-(TRIFLUOROMETHYL)-5-THIAZOLECARBOXYETHYL 2-AMINO-4-(TRIFLUOROMETHYL)THIAXOLE-5-CARBOXYLATE
ethyl 2-amino-4-(trifluoromethyl)thiazole-5-carboxylate2-AMINO-4-TRIFLUOROMETHYL-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTERMFCD00153147C7H7F3N2O2Sethyl 2-amino-4-(trifluoromethyl)-5-thiazolecarboxylate2-Amino-4-(trifluoromethyl)-5-thiazolecarboxylic acid ethyl esterNSC4465WLN: T5N CSJ BZ DMVO2 EXFFF

데이터베이스 식별자

CAS
344-72-9
PubChem CID
67656
DTXSID
DTXSID0051491
ChEMBL
CHEMBL1890274
UNII
9WH6LMH3RA
EC Number
670-625-7
Nikkaji
J48.794E

물성

구조 계산 물성

XLogP
2.1
극성 표면적
93.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
3
무거운 원자 수
15

실험 및 물리화학적 성질

Collision Cross Section140.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0051491]

물리화학적 성질

녹는점
170 °C · 170 °C
끓는 점
81.4 °C · 81.4°C (rough estimate)
밀도
1.479 · 1.479
저장 조건
2 · 2-8°C, protect from light
산도 계수 (pKa)
0.08 · 0.08±0.10(Predicted)
EPA
5 · 5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester (344-72-9)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

tsca
TSCA listed
독성
LDLo ivn-mus: 75 mg/kg CBCCT* 6,142,54
HS 번호
2934100090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36/37/39

화학 및 산업

용도 및 제조

General Manufacturing Information5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester: INACTIVE

상·하류 제품 정보

공급사50 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Suzhou Victorypharm Co.,Ltd.+86-13916956214 · [email protected]

관련 반응

36건
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5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester (HCID 67656)｜Huagongshe