Ethyl 2,6-dichloro-5-nitropyrimidine-4-carboxylate

HCID 2761044CAS 54368-61-5

기본 정보

표준 SMILES: CCOC(=O)c1nc(Cl)nc(Cl)c1[N+](=O)[O-]
InChIKey: CXMOEGSGXAUCNZ-UHFFFAOYSA-N
분자식: C7H5Cl2N3O4
평균 분자량: 266.04 g/mol
단동위원소 질량: 264.965711

이름 및 식별자

우선 이름: Ethyl 2,6-dichloro-5-nitropyrimidine-4-carboxylate
IUPAC: ethyl 2,6-dichloro-5-nitropyrimidine-4-carboxylate
영어명: ETHYL 2,6-DICHLORO-5-NITROPYRIMIDINE-4-CARBOXYLATE
분자식: C7H5Cl2N3O4
분자량: 266.04

이름 및 동의어

ethyl 2,6-dichloro-5-nitropyrimidine-4-carboxylate54368-61-5DTXSID20375500RefChem:342269DTXCID30326528674-377-0MFCD008316382,6-dichloro-5-nitropyrimidine-4-carboxylic acid ethyl esterC7H5Cl2N3O4Ethyl2,6-dichloro-5-nitropyrimidine-4-carboxylate2,6-Dichloro-4-(ethoxycarbonyl)-5-nitropyrimidineethyl 2,6-dichloro-5-nitro-pyrimidine-4-carboxylate

이름 더 보기

ETHYL 2,6-DICHLORO-5-NITROPYRIMIDINE-4-CARBOXYLATE ISO 9001：2015 REACH

SCHEMBL58060CXMOEGSGXAUCNZ-UHFFFAOYSA-N4-Pyrimidinecarboxylic acid, 2,6-dichloro-5-nitro-, ethyl esterAKOS005264367AC-5238CS-W006419GS-5664SB60545

데이터베이스 식별자

CAS: 54368-61-5
PubChem CID: 2761044
DTXSID: DTXSID20375500
EC Number: 674-377-0

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 97.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 285

물리화학적 성질

녹는점: 36 · 36-38°C
끓는 점: 391.4 · 391.4±37.0 °C(Predicted)
밀도: 1.602 · 1.602
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): -9.02 · -9.02±0.39(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

HS 번호: 2933599590
hazard_code: Xi

화학 및 산업

응용 분야

용도Ethyl 2,6-Dichloro-5-nitropyrimidine-4-carboxylate is a useful chemical compound for preparation of pyrimidinediamines as IgE and/or IgG receptor modulators.