CAS 313339-35-4 4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylic acid (HCID 22053577)

기본 정보

CAS: 313339-35-4
표준 SMILES: CSc1nc(Cl)c(C(=O)O)c(Cl)n1
InChIKey: LUCAXEBLTQAMHS-UHFFFAOYSA-N
분자식: C6H4Cl2N2O2S
평균 분자량: 239.08 g/mol
단동위원소 질량: 237.9370539

이름 및 식별자

우선 이름: 4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylic acid
IUPAC: 4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxylic acid
영어명: 4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylic acid
분자식: C6H4Cl2N2O2S
분자량: 239.08

이름 및 동의어

4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylic acidRefChem:507973687-012-5313339-35-4MFCD062086994,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carboxylic acidC6H4Cl2N2O2S4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxylic acidDTXSID40622068AKOS0159203094,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylicAcid4,6-dichloro-2-methylsulfanyl-pyrimidine-5-carboxylic acid

이름 더 보기

RARECHEM AL BO 19884,6-dichloro-2-methylsulfanylpyrimidine-5-carboxylicaci4,6-dichloro-2-(Methylthio)-5-pyriMidine carboxylic acid4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID ISO 9001：2015 REACH

DS-105574,6-dichloro-5-carboxy-2-methylthiopyrimidineEN300-113767AMY203245-Pyrimidinecarboxylic acid, 4,6-dichloro-2-(methylthio)-4,6-dicSCHEMBL282501LUCAXEBLTQAMHS-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 313339-35-4
PubChem CID: 22053577
DTXSID: DTXSID40622068
EC Number: 687-012-5
Nikkaji: J2.747.076I

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 88.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 195

물리화학적 성질

녹는점: 159 · 159-163 °C (D)
끓는 점: 384.5 · 384.5±37.0 °C(Predicted)
밀도: 1.71 · 1.71±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: solid
산도 계수 (pKa): 0.08 · 0.08±0.32(Predicted)
InChI: InChI=1S/C6H4Cl2N2O2S/c1-13-6-9-3(7)2(5(11)12)4(8)10-6/h1H3,(H,11,12)
InChIKey: LUCAXEBLTQAMHS-UHFFFAOYSA-N
SMILES: C1(SC)=NC(Cl)=C(C(O)=O)C(Cl)=N1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

공급사74 곳

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]

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