4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine

HCID 248063CAS 16097-63-5

기본 정보

표준 SMILES: CSc1nc(Cl)cc(C(F)(F)F)n1
InChIKey: GOORQLLDZBAQIW-UHFFFAOYSA-N
분자식: C6H4ClF3N2S
평균 분자량: 228.62 g/mol
단동위원소 질량: 227.97358147

이름 및 식별자

우선 이름: 4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine
IUPAC: 4-chloro-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
영어명: 4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine
분자식: C6H4ClF3N2S
분자량: 228.62

이름 및 동의어

4-CHLORO-2-(METHYLSULFANYL)-6-(TRIFLUOROMETHYL)PYRIMIDINEDTXSID20289799RefChem:520972DTXCID60240945826-686-916097-63-54-Chloro-2-(methylthio)-6-(trifluoromethyl)pyrimidinePyrimidine, 4-chloro-2-(methylthio)-6-(trifluoromethyl)-4-chloro-2-methylthio-6-(trifluoromethyl)pyrimidine4-chloro-2-methylsulfanyl-6-(trifluoromethyl)pyrimidineMFCD00269080C6H4ClF3N2S

이름 더 보기

NSC 64344BUTTPARK 6\01-56SPECS AG-996/310820644-Chloro-2-(methylthio)-6-(trifluoromethyl)pyrimidine ,97%4-Chloro-2-(Methylsulfanyl)-6-(trifluoroMethyl)pyriMidine (en)JR-8836, 4-Chloro-2-methylthio-6-(trifluoromethyl)pyrimidine, 97%4-CHLORO-2-(METHYLSULFANYL)-6-(TRIFLUOROMETHYL)PYRIMIDINE ISO 9001：2015 REACH

4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)-pyrimidineNSC64344NCIOpen2_002927SCHEMBL254039NSC-64344SBB097344TD8080AKOS005071001

데이터베이스 식별자

CAS: 16097-63-5
PubChem CID: 248063
DTXSID: DTXSID20289799
EC Number: 826-686-9
Nikkaji: J829.529H

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 51.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 178

물리화학적 성질

녹는점: 38 · 38-39℃ (ethyl acetate ligroine )
끓는 점: 83.5 ℃ · 83.5℃ (9.3 Torr)
밀도: 1.52 · 1.52±0.1 g/cm3(Predicted)
굴절률: 1.505 · 1.5050 (25℃)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): -5.28 · -5.28±0.32(Predicted)
물리적 상태: 액체
색상: 무색의

화학적 성질

Colorless liquid

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

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 29335990
risk_code: 36/37/38-25
hazard_code: Xi,T
safety_code: 26-36/37/39-45
위험 등급: IRRITANT
위험 참고 사항: Irritant/Stench

화학 및 산업

상·하류 제품 정보

상류 원료

공급사50 곳

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

苏州道澜生物医药科技有限公司15952404857 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]

연결된 노트

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