2-니트로-5-(페닐아세틸아미노)-벤조산

6-Nitro-3-phenylacetamidobenzoic acid

HCID 193864CAS 52033-70-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(Cc1ccccc1)Nc1ccc([N+](=O)[O-])c(C(=O)O)c1
InChIKey: QHVQEQRGDKOHHC-UHFFFAOYSA-N
분자식: C15H12N2O5
평균 분자량: 300.27 g/mol
단동위원소 질량: 300.07462148

개요

structure

이름 및 식별자

우선 이름: 6-Nitro-3-phenylacetamidobenzoic acid
IUPAC: 2-nitro-5-[(2-phenylacetyl)amino]benzoic acid
현지명: 2-니트로-5-(페닐아세틸아미노)-벤조산
영어명: 2-Nitro-5-(phenylacetylamino)-benzoic acid
분자식: C15H12N2O5
분자량: 300.27

이름 및 동의어

52033-70-2NIPAB6-Nitro-3-phenylacetamidobenzoic acid2-Nitro-5-phenylacetaminobenzoic acidDTXSID40200007Benzoic acid, 2-nitro-5-((phenylacetyl)amino)-RefChem:105082DTXCID001224982-Nitro-5-[(phenylacetyl)amino]benzoic acid2-Nitro-5-(phenylacetylamino)-benzoic acid2-Nitro-5-(2-phenylacetamido)benzoic acid2-nitro-5-[(2-phenylacetyl)amino]benzoic acid

이름 더 보기

2-니트로-5-(페닐아세틸아미노)-벤조산6-Nitro-3-(phenylacetamido)benzoic acid >=98%2-Nitro-5-[(phenylacetyl)amino]benzoicAcid,98%2-NITRO-5-(PHENYLACETYLAMINO)-BENZOIC ACID ---NIPAB, YELLOW CRYSTALLINE---

MFCD00043603Benzoic acid,2-nitro-5-[(2-phenylacetyl)amino]-Benzoic acid, 2-nitro-5-[(2-phenylacetyl)amino]-2-nitro-5-(2-phenylacetylamino)benzoic acid6-Nitro-3-(phenylacetamido)benzoic acidTIMTEC-BB SBB008308SCHEMBL3392821SCHEMBL29529094

데이터베이스 식별자

CAS: 52033-70-2
PubChem CID: 193864
DTXSID: DTXSID40200007
EC Number: 637-114-0
Nikkaji: J659.436K

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 112 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 22
형식 전하: 0
복잡도: 428

물리화학적 성질

끓는 점: 599.6 · 599.6±50.0 °C(Predicted)
밀도: 1.446 · 1.446±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 9.8 · ethanol: 9.80-10.20mg/mL, clear, faintly yellow to yellow
산도 계수 (pKa): 2.05 · 2.05±0.25(Predicted)
물리적 상태: powder
InChI: 1S/C15H12N2O5/c18-14(8-10-4-2-1-3-5-10)16-11-6-7-13(17(21)22)12(9-11)15(19)20/h1-7,9H,8H2,(H,16,18)(H,19,20)
InChIKey: QHVQEQRGDKOHHC-UHFFFAOYSA-N
SMILES: OC(=O)c1cc(NC(=O)Cc2ccccc2)ccc1[N+]([O-])=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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
risk_code: 37/38-41
hazard_code: Xi
safety_code: 26-36/37/39
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

개요2-Nitro-5-(phenylacetylamino)-benzoic acid, also known as 6-Nitro-3-phenylacetamidobenzoic acid, is a chromogenic analogue of penicillin.

공급사39 곳

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

上海策嵘生物科技有限公司[email protected]

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

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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