4-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester (HCID 80008)

개요

structure in first source

이름 및 식별자

우선 이름: 4-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester
IUPAC: ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate
영어명: Ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate
분자식: C8H9ClN2O2S
분자량: 232.69

이름 및 동의어

4-Chloro-2-(methylthio)pyrimidine-5-carboxylic Acid Ethyl Esterethyl 4-chloro-MPCRefChem:1387575909-24-0ethyl 4-chloro-2-(methylthio)pyrimidine-5-carboxylateEthyl 4-chloro-2-methylthio-5-pyrimidinecarboxylateethyl 4-chloro-2-(methylsulfanyl)pyrimidine-5-carboxylateEthyl 4-chloro-2-methylthiopyrimidine-5-carboxylate4-Chloro-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl esterC8H9ClN2O2Sethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate2-methylthio-4-chloro-5-ethoxycarbonylpyrimidine

이름 더 보기

4-Chloro-5-ethoxycarbonyl-2-methylthiopyrimidineethyl 4-chloro-2-methylthio-5-pyrimidine-carboxylNSC 123534SIEHE AV22429BUTTPARK 45\03-53Avanafil Impurity 69Ethyl4-chloro-2-met...thio-5-pyrimidinecarboxyL

MFCD000060854-Chloro-5-carbethoxy-2-methylthiopyrimidine5-Pyrimidinecarboxylic acid, 4-chloro-2-(methylthio)-, ethyl ester3EZY6B6CLY4-Chloro-2-methylsulfanylpyrimidine-5-carboxylic acid ethyl esterethyl 4-chloro-2-methylthio-5-pyrimidine carboxylateGEO-01330Ethyl 4-chloro-2-(methylthio)-5-pyrimidinecarboxylate

데이터베이스 식별자

CAS: 5909-24-0
PubChem CID: 80008
DTXSID: DTXSID20207832
UNII: 3EZY6B6CLY
EC Number: 227-619-0
Nikkaji: J124.092G

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 77.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 14
형식 전하: 0
복잡도: 206

물리화학적 성질

녹는점: 60 · 60-63 °C (lit.)
끓는 점: 132 °C/0.4mmHg · 132°C/0.4mmHg(lit.)
밀도: 1.37 · 1.37±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 클로로포름, 에틸아세테이트에 용해됨
산도 계수 (pKa): -2.19 · -2.19±0.29(Predicted)
물리적 상태: 결정성 분말
색상: 흰색부터 연한 노란색, 베이지색까지
InChI: InChI=1S/C8H9ClN2O2S/c1-3-13-7(12)5-4-10-8(14-2)11-6(5)9/h4H,3H2,1-2H3
InChIKey: SNNHLSHDDGJVDM-UHFFFAOYSA-N
SMILES: C1(SC)=NC=C(C(OCC)=O)C(Cl)=N1

화학적 성질

off white to light yellow solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 1.7% (1 of 60) of reports.

Danger

H315 (98.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 60 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 04-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24274

Hazard Classes and CategoriesSkin Irrit. 2 (98.3%)

안전 데이터

wgk: 3
HS 번호: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT, KEEP COLD
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate was used in the synthesis of pyrimidinopyridones, potential inhibitors of the FMS tyrosine kinase.

상·하류 제품 정보

상류 원료

하류 제품

4-(에틸아미노)-2-(메틸티오)피리미딘-5-카브알데하이드 (4-CHLORO-2-METHYLSULFANYL-PYRIMIDIN-5-YL)-METHANOL 5-PyriMidinecarboxylic acid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-[(2S)-2-(hydroxyMethyl)- 1-pyrrolidinyl]-4-Chloro-2-(methylthio)pyrimidine-5-carboxaldehyde 4-Hydroxy-2-(methylthio)pyrimidine-5-carboxylic acid

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

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

INTATRADE GmbH+49 3493/605464 · [email protected]

镇江中智化学科技有限公司0511-15050866711; 15050866711 · [email protected]

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

연결된 노트

불러오는 중…

4-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester

기본 정보

개요