Methyl pyridazine-4-carboxylate

HCID 12439252

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 34231-77-1
표준 SMILES: COC(=O)c1ccnnc1
InChIKey: IJFLWNYKGMQQOW-UHFFFAOYSA-N
분자식: C6H6N2O2
평균 분자량: 138.12 g/mol
단동위원소 질량: 138.04292743

이름 및 식별자

우선 이름: Methyl pyridazine-4-carboxylate
IUPAC: methyl pyridazine-4-carboxylate
영어명: Pyridazine-4-carboxylic acid methyl ester
분자식: C6H6N2O2
분자량: 138.12

이름 및 동의어

Methyl Pyridazine-4-carboxylate34231-77-1DTXSID30498310RefChem:356850DTXCID30449120851-018-8MFCD09953488PYRIDAZINE-4-CARBOXYLIC ACID METHYL ESTER4-PYRIDAZINECARBOXYLIC ACID, METHYL ESTERmethylpyridazine-4-carboxylatemethyl 4-pyridazinecarboxylateMethyl pyridazine-4-carboxylate, 97%

이름 더 보기

4-MethoxycarbonylpyridazineMethyl pyridazin-4-carboxylateMethyl pyridazine-4-carboxylate, 96%4-Pyridazinecarboxylic acid methyl estermethyl pyridazine-4-carboxylate - [M12256]Pyridazine-4-carboxylic acid methyl ester ISO 9001：2015 REACH

AC-4414SY004472EN300-2546524-MethoxycarbonylpAMY24958BCP22435FT-0717698R2U2BP7FKV

데이터베이스 식별자

CAS: 34231-77-1
PubChem CID: 12439252
DTXSID: DTXSID30498310
UNII: R2U2BP7FKV
EC Number: 851-018-8
Nikkaji: J293.838C

물성

구조 계산 물성

XLogP: -0.3
극성 표면적: 52.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 127

실험 및 물리화학적 성질

LogP-0.27

물리화학적 성질

녹는점: 64 · 64-67℃
끓는 점: 281.3 · 281.3±13.0 °C(Predicted)
밀도: 1.213 · 1.213±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 0.67 · 0.67±0.10(Predicted)
물리적 상태: solid
수용성: 물에 약간 용해됩니다.
InChI: InChI=1S/C6H6N2O2/c1-10-6(9)5-2-3-7-8-4-5/h2-4H,1H3
InChIKey: IJFLWNYKGMQQOW-UHFFFAOYSA-N
SMILES: C1=NN=CC=C1C(OC)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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 CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: nwg
HS 번호: 2933998090
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도It is used to produce 4-Pyridazincarbohydroxamsaeure by heating and requires a reagent hydroxylammoniumchloride and Na2CO3. Meanwhile, it needs solvent methanol.