methyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate

HCID 10798997

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 179950-69-7
표준 SMILES: COC(=O)c1ccc2c(c1)OC(C)C(=O)N2
InChIKey: OLLPWCOGKLTZEW-UHFFFAOYSA-N
분자식: C11H11NO4
평균 분자량: 221.21 g/mol
단동위원소 질량: 221.06880783

이름 및 식별자

우선 이름: methyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate
IUPAC: methyl 2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxylate
영어명: methyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate
분자식: C11H11NO4
분자량: 221.21

이름 및 동의어

179950-69-7methyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylateDTXSID50445063RefChem:354387DTXCID20395884869-932-0Methyl 2-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylateMFCD11100233methyl 2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxylate2H-1,4-Benzoxazine-7-carboxylic acid, 3,4-dihydro-2-methyl-3-oxo-, methyl esterorb3169882SCHEMBL8029156

이름 더 보기

Compound FL01252-Methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-7-carboxylic acid methyl ester2H-1,4-Benzoxazine-7-carboxylic acid, 3,4-dihydro-2-methyl-3-oxo-,methyl ester

OLLPWCOGKLTZEW-UHFFFAOYSA-NFL0125SBB096117AKOS005072614GC-07243,4-Dihydro-2-methyl-3-oxo-2H-1,4-benzoxazine-7-carboxylic acid, methyl esterSY100470CS-0049159

데이터베이스 식별자

CAS: 179950-69-7
PubChem CID: 10798997
DTXSID: DTXSID50445063
EC Number: 869-932-0

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 64.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 304

물리화학적 성질

녹는점: 169 · 169-171°
끓는 점: 406.6 · 406.6±45.0 °C(Predicted)
밀도: 1.244 · 1.244±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 12.05 · 12.05±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.