(3,5-Dimethyl-4-nitropyridin-2-yl)methanol

HCID 4049415CAS 149082-03-1

기본 정보

표준 SMILES: Cc1cnc(CO)c(C)c1[N+](=O)[O-]
InChIKey: KBCDOXSSYLFMHH-UHFFFAOYSA-N
분자식: C8H10N2O3
평균 분자량: 182.18 g/mol
단동위원소 질량: 182.06914218

이름 및 식별자

우선 이름: (3,5-Dimethyl-4-nitropyridin-2-yl)methanol
IUPAC: (3,5-dimethyl-4-nitro-2-pyridinyl)methanol
영어명: 3,5-Dimethyl-2-hydroxymethyl-4-nitropyridine
분자식: C8H10N2O3
분자량: 182.18

이름 및 동의어

149082-03-1(3,5-dimethyl-4-nitropyridin-2-yl)methanol3,5-Dimethyl-4-nitro-2-pyridinemethanolDTXSID20398774RefChem:399391DTXCID50349633604-675-83,5-Dimethyl-2-hydroxymethyl-4-nitropyridine2-Pyridinemethanol, 3,5-dimethyl-4-nitro-3,5-Dimethyl-4-nitropyridine-2-methanolOmeprazole Impurity 682-(Hydroxymethyl)-3,5-dimethyl-4-nitropyridine

이름 더 보기

Esomeprazole Impurity 633,5-Dimethyl-4-nitro pyridin-2-methanol3,5-(DIMETHYL-4-NITRO-2-PYRIDYL)METHANOL(3,5-DIMETHYL-4-NITRO-2-PYRIDYL)METHAN-&(3,5-dimethyl-4-nitro-2-pyridyl)-1-metha3,5-Dimethyl-4-nitro-2-pyridinemethanol>

MFCD034260352-hydroxymethyl-3,5-dimethyl-4-nitropyridine(3,5-dimethyl-4-nitro-2-pyridyl)methan-1-ol4-Nitro-3,5-dimethyl-2-(hydroxymethyl)pyridineUK5VP8BF45(3,5-DIMETHYL-4-NITRO-2-PYRIDYL)METHANOLSCHEMBL3089370CHEMBL4444883

데이터베이스 식별자

CAS: 149082-03-1
PubChem CID: 4049415
DTXSID: DTXSID20398774
ChEMBL: CHEMBL4444883
UNII: UK5VP8BF45
EC Number: 604-675-8

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 78.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 192

물리화학적 성질

녹는점: 66 · 66-70 °C (lit.)
끓는 점: 349.7 · 349.7±37.0 °C(Predicted)
밀도: 1.293 · 1.293±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 12.97 · 12.97±0.10(Predicted)
색상: 흰색에서 회색, 갈색까지
InChI: 1S/C8H10N2O3/c1-5-3-9-7(4-11)6(2)8(5)10(12)13/h3,11H,4H2,1-2H3
InChIKey: KBCDOXSSYLFMHH-UHFFFAOYSA-N
SMILES: Cc1cnc(CO)c(C)c1[N+]([O-])=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (11.1%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (11.1%)

안전 데이터

wgk: 3
ridadr: 2811
HS 번호: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
포장분류: III
위험 등급: 6.1
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

공급사50 곳

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

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

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

济南百隆化学有限公司[email protected] · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

연결된 노트

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