CAS 372118-01-9 Methyl 4,6-dichloropyridazine-3-carboxylate (HCID 17848322)

기본 정보

CAS: 372118-01-9
표준 SMILES: COC(=O)c1nnc(Cl)cc1Cl
InChIKey: MZEVRGMQXLNKEZ-UHFFFAOYSA-N
분자식: C6H4Cl2N2O2
평균 분자량: 207.01 g/mol
단동위원소 질량: 205.9649828

이름 및 식별자

우선 이름: Methyl 4,6-dichloropyridazine-3-carboxylate
IUPAC: methyl 4,6-dichloropyridazine-3-carboxylate
영어명: Methyl 4,6-dichloropyridazine-3-carboxylate
분자식: C6H4Cl2N2O2
분자량: 207.01

이름 및 동의어

Methyl 4,6-dichloropyridazine-3-carboxylate372118-01-93-PYRIDAZINECARBOXYLIC ACID, 4,6-DICHLORO-, METHYL ESTERDTXSID30591259RefChem:815699DTXCID70542023810-083-2MFCD099536124,6-DICHLORO-PYRIDAZINE-3-CARBOXYLIC ACID METHYL ESTER3-methoxycarbonyl-4,6-dichloropyridazineSCHEMBL13437784,6-dichloropyridazine-3-carboxylic acid methyl ester

이름 더 보기

Deucravacitinib intermediate4,6-Dichloro-4-(methoxycarbonyl)pyridazineMETHYL 4,6-DICHLOROPYRIDAZINE-3-CARBOXYLATMethyl 4,6-dichloro-3-pyridazinecarboxylate4,6-dichloropyridazine-3-carboxylate MethylMethyl4,6-dichloropyridazine-3-carboxylate,97%6-dichloro-pyridazine-3-carboxylic acid methyl ester4,6-dichloropyridazin-3-carboxylic acid methyl ester

43BS5MJY3LSCHEMBL29922648MZEVRGMQXLNKEZ-UHFFFAOYSA-NAKOS015919938AB55529CS-W008919AC-27270DA-32532

데이터베이스 식별자

CAS: 372118-01-9
PubChem CID: 17848322
DTXSID: DTXSID30591259
UNII: 43BS5MJY3L
EC Number: 810-083-2

물성

구조 계산 물성

XLogP: 1.6
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

끓는 점: 345.2 · 345.2±37.0 °C(Predicted)
밀도: 1.503 · 1.503±0.06 g/cm3(Predicted)
굴절률: 1.552 · 1.552
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
용해도: DMSO(약간 용해됨), 메탄올(매우 소량)
산도 계수 (pKa): -2.3 · -2.30±0.10(Predicted)
물리적 상태: 가루
색상: Light beige/light brown crystalline
InChI: InChI=1S/C6H4Cl2N2O2/c1-12-6(11)5-3(7)2-4(8)9-10-5/h2H,1H3
InChIKey: MZEVRGMQXLNKEZ-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=NN=C(Cl)C=C1Cl

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 5 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 (20%)

안전 데이터

HS 번호: 2933998090

화학 및 산업

응용 분야

용도Methyl 4,6-dichloropyridazine-3-carboxylate is an organic intermediate commonly used in laboratory research and development as a raw material for organic synthesis.