4-Amino-2-chloro-6-methyl-5-nitropyrimidine

HCID 227459CAS 5453-06-5

기본 정보

표준 SMILES: Cc1nc(Cl)nc(N)c1[N+](=O)[O-]
InChIKey: ZBYYVBFAHVINCE-UHFFFAOYSA-N
분자식: C5H5ClN4O2
평균 분자량: 188.57 g/mol
단동위원소 질량: 188.0101031

이름 및 식별자

우선 이름: 4-Amino-2-chloro-6-methyl-5-nitropyrimidine
IUPAC: 2-chloro-6-methyl-5-nitropyrimidin-4-amine
영어명: 4-AMINO-2-CHLORO-6-METHYL-5-NITROPYRIMIDINE
분자식: C5H5ClN4O2
분자량: 188.57

이름 및 동의어

4-Amino-2-chloro-6-methyl-5-nitropyrimidineDTXSID50280911RefChem:517614DTXCID40232065668-874-15453-06-52-chloro-6-methyl-5-nitropyrimidin-4-amineMFCD000231984-Pyrimidinamine, 2-chloro-6-methyl-5-nitro-NSC190542-chloro-6-methyl-5-nitro-pyrimidin-4-ylamineSCHEMBL166184

이름 더 보기

NSC 19054IFLAB-BB F2124-01794-Amino-5-nitro-6-methyl-2-chloropyrimidine2-chloro-6-methyl-5-nitro-pyrimidin-4-amine(2-chloro-6-methyl-5-nitro-pyrimidin-4-yl)amine

ZBYYVBFAHVINCE-UHFFFAOYSA-NNSC-19054AKOS000320476SB55611AS-66471DB-0525992-Chloro-6-methyl-5-nitro-4-pyrimidinamineCS-0107358

데이터베이스 식별자

CAS: 5453-06-5
PubChem CID: 227459
DTXSID: DTXSID50280911
EC Number: 668-874-1

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 97.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 185

물리화학적 성질

녹는점: 166 · 166-170°C
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
용해도: 디클로로메탄 (약간 용해됨), 에틸아세테이트 (약간 용해됨), 메탄올 (약간 용해됨)
물리적 상태: 고체
색상: 연한 노란색에서 주황색까지
안정성: 독성

화학적 성질

Orange Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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.