Methyl 2,4-dichloropyrimidine-6-carboxylate

HCID 239689CAS 6299-85-0

기본 정보

표준 SMILES: COC(=O)c1cc(Cl)nc(Cl)n1
InChIKey: DQNQNLWKAGZNIT-UHFFFAOYSA-N
분자식: C6H4Cl2N2O2
평균 분자량: 207.01 g/mol
단동위원소 질량: 205.96498273

이름 및 식별자

우선 이름: Methyl 2,4-dichloropyrimidine-6-carboxylate
IUPAC: methyl 2,6-dichloropyrimidine-4-carboxylate
영어명: Methyl 2,4-dichloropyrimidine-6-carboxylate
분자식: C6H4Cl2N2O2
분자량: 207.01

이름 및 동의어

Methyl 2,4-dichloropyrimidine-6-carboxylateDTXSID70286359RefChem:812937DTXCID30237509674-238-46299-85-0methyl 2,6-dichloropyrimidine-4-carboxylateMFCD01941317C6H4Cl2N2O22,6-dichloropyrimidine-4-carboxylic acid methyl ester4-Pyrimidinecarboxylic acid, 2,6-dichloro-, methyl esterMethyl 2,4-Dichloro-pyrimidine-6-carboxylate

이름 더 보기

2,6-dichloropyrimidine-4-carboxylate2,6-Dichloro-pyrimidine-4-carboxylic acid methyl ester6-c2-(3-CHLOROPHENYL)MALONDIALDEHYDE2,4-dichloropyrimidine-6-carboxylate2-(3-chlorophenyl)malondialdehyde,98%2,4-Dichloro-6-(methoxycarbonyl)pyrimidineMethyl 2,6-dichloropyrimidin-4-carboxylate

NSC45044methyl 2,6-dichloro-4-pyrimidinecarboxylateMethyl2,6-Dichloropyrimidine-4-carboxylateSCHEMBL112719SCHEMBL30307699DQNQNLWKAGZNIT-UHFFFAOYSA-N2,6-DICHLORO-4-PYRIMIDINECARBOXYLICACID METHYL ESTERNSC-45044

데이터베이스 식별자

CAS: 6299-85-0
PubChem CID: 239689
DTXSID: DTXSID70286359
EC Number: 674-238-4
Nikkaji: J263.924F

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 52.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 179

물리화학적 성질

녹는점: 54 · 54-56
끓는 점: 306 · 306 ºC
밀도: 1.503 · 1.503
인화점: 139 · 139 ºC
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: White to off white to faint cream flakes
산도 계수 (pKa): -5.83 · -5.83±0.30(Predicted)
InChI: InChI=1S/C6H4Cl2N2O2/c1-12-5(11)3-2-4(7)10-6(8)9-3/h2H,1H3
InChIKey: DQNQNLWKAGZNIT-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(Cl)=CC(C(OC)=O)=N1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (25%): 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)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (25%)

안전 데이터

HS 번호: 2933599590
hazard_code: Xi
위험 등급: IRRITANT

화학 및 산업

상·하류 제품 정보

상류 원료

하류 제품

AZ20 4-Pyrimidinecarboxylic acid, 2-chloro-6-(methylthio)-, methyl ester

공급사50 곳

常州帝通化工有限公司+86-0519-88298848 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

上海欧堃化学有限公司(QQ 39130253)021-68712331 39130253 · [email protected]

연결된 노트

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