2-메틸-3,1-벤조옥사자-4-원

Acetanthranil

HCID 68236CAS 525-76-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1nc2ccccc2c(=O)o1
InChIKey: WMQSKECCMQRJRX-UHFFFAOYSA-N
분자식: C9H7NO2
평균 분자량: 161.16 g/mol
단동위원소 질량: 161.04767846

이름 및 식별자

우선 이름: Acetanthranil
IUPAC: 2-methyl-3,1-benzoxazin-4-one
현지명: 2-메틸-3,1-벤조옥사자-4-원
영어명: 2-Methyl-4H-3,1-benzoxazin-4-one
분자식: C9H7NO2
분자량: 161.16

이름 및 동의어

525-76-82-Methyl-4H-3,1-benzoxazin-4-oneAcetanthranil4H-3,1-Benzoxazin-4-one, 2-methyl-2-Methyl-4-oxo-4H-3,1-benzoxazineDTXSID0049313Y938TMX1D8EINECS 208-381-7NSC 10119NSC-10119NSC-521353DTXCID5029269

이름 더 보기

2-메틸-3,1-벤조옥사자-4-원NSC 521353AURORA KA-3785AcetylanthranylACETYL ANTHRANILTIMTEC-BB SBB000135

RefChem:551865208-381-7ACETYLANTHRANIL2-Methyl-4H-benzo[d][1,3]oxazin-4-one2-Methyl-3,1-benzoxaza-4-one2-methyl-3,1-benzoxazin-4-oneMFCD00047647NSC10119

데이터베이스 식별자

CAS: 525-76-8
PubChem CID: 68236
DTXSID: DTXSID0049313
ChEMBL: CHEMBL343202
UNII: Y938TMX1D8
EC Number: 208-381-7
Nikkaji: J11.720J

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 38.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 235

물리화학적 성질

녹는점: 79 · 79-82 °C(lit.)
끓는 점: 144 · 144-145 °C(Press: 12 Torr)
밀도: 1.25 · 1.25±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 2.84 · 2.84±0.20(Predicted)
InChI: InChI=1S/C9H7NO2/c1-6-10-8-5-3-2-4-7(8)9(11)12-6/h2-5H,1H3
InChIKey: WMQSKECCMQRJRX-UHFFFAOYSA-N
SMILES: N1C2=CC=CC=C2C(=O)OC=1C
EPA: 4 H-3,1-Benzoxazin-4-one, · 4H-3,1-Benzoxazin-4-one, 2-methyl- (525-76-8)

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 40 reports by companies from 3 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: 3
tsca: TSCA listed
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information4H-3,1-Benzoxazin-4-one, 2-methyl-: INACTIVE

응용 분야 · 1건

용도2-Methyl-4H-3,1-benzoxazin-4-one is a synthetic antimicrobial agent. It belongs to the quinazolinone class of drugs. It has been shown to be effective against Staphylococcus aureus and other bacteria. Quinazolinones are potent inhibitors of bacterial growth and have been used successfully in the treatment of tuberculosis and other infectious diseases. 2-Methyl-4H-3,1-benzoxazin-4-one has also been shown to inhibit the growth of some Gram-negative bacteria, such as Salmonella typhi and Escherichia coli.