2-Amino-5-nitrobenzoic acid (HCID 12032)

개요

5-nitroanthranilic acid is an aminobenzoic acid in which the the amino group is ortho- to the carboxylic acid group, and which is substituted para- to the amino group by a nitro group. It is a conjugate acid of a 5-nitroanthranilate.

이름 및 식별자

우선 이름: 2-Amino-5-nitrobenzoic acid
IUPAC: 2-amino-5-nitrobenzoic acid
영어명: 2-Amino-5-nitrobenzoic acid
분자식: C7H6N2O4
분자량: 182.13

이름 및 동의어

2-AMINO-5-NITROBENZOIC ACID616-79-55-Nitroanthranilic acidBenzoic acid, 2-amino-5-nitro-Anthranilic acid, 5-nitro-1-amino-2-carboxy-4-nitrobenzene5-Nitroantranilic acidEINECS 210-493-6NSC 16208NSC 63867DTXSID8060668CHEBI:61280

이름 더 보기

RARECHEM AL BO 0236TIMTEC-BB SBB0067185NAA, 10 mM in DMSO5-nitroanthranilicaci2-Amino-5-nitrobenzoicLABOTEST-BB LT01138403Mesalazine Impurity 685-NITROANTHRANILLIC ACID2-Amino-5-nitrobenzoesure

RefChem:85288DTXCID2043086Anthranilic acid, 5-nitro-(8CI)210-493-6InChI=1/C7H6N2O4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,8H2,(H,10,11RUCHWTKMOWXHLU-UHFFFAOYSA-N2-Amino-5-nitro-benzoic acid5NAA

데이터베이스 식별자

CAS: 616-79-5
PubChem CID: 12032
DTXSID: DTXSID8060668
ChEMBL: CHEMBL39476
ChEBI: CHEBI:61280
EC Number: 210-493-6
Nikkaji: J7.034C

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 109 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 225

물리화학적 성질

녹는점: 270 °C · 270 °C (dec.) (lit.)
끓는 점: 315.51 °C · 315.51°C (rough estimate)
밀도: 1.5181 · 1.5181 (rough estimate)
굴절률: 1.588 · 1.5880 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 불용성
물리적 상태: 가루
산도 계수 (pKa): 4.08 · 4.08±0.10(Predicted)
색상: 밝은 노랑
수용성: 불용성
BRN: 646219 · 646219
주요 응용: 펩타이드 합성
InChI: InChI=1S/C7H6N2O4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,8H2,(H,10,11)
InChIKey: RUCHWTKMOWXHLU-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC([N+]([O-])=O)=CC=C1N
EPA: 2 · Benzoic acid, 2-amino-5-nitro- (616-79-5)

화학적 성질

BRIGHT YELLOW POWDER

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 48 reports by companies from 8 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: 2
tsca: TSCA listed
HS 번호: 29224999
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
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 InformationBenzoic acid, 2-amino-5-nitro-: ACTIVE

응용 분야

용도2-Amino-5-nitrobenzoic acid, is used as an intermediate for dyes and pharmaceuticals.

상·하류 제품 정보

상류 원료

2-Amino-4-nitrobenzoic acid

하류 제품

2-IODO-5-니트로벤조산 2,5-디아미노벤조산 5-Nitroisatoic anhydride tetrasodium 2-[[2-amino-6-[[4-[[4-[(3-carboxylato-4-hydroxyphenyl)azo]-7-sulphonato-1-naphthyl]azo]-2,5-dimethoxyphenyl]azo]-5-hydroxy-7-sulphonato-1-naphthyl]azo]-5-nitrobenzoate DIRECT BLACK 91 Chromate(2-), [2-[[4,5-dihydro-3-methyl-5-oxo-1-[4-[(1-oxo-2-propenyl)amino]phenyl]-1H-pyrazol-4-yl]azo]benzoato(2-)][2-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-sulfobenzoato(3-)]-, disodium tetrasodium 3,3'-(carbonyldiimino)bis[6-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]benzoate]4(3H)-Quinazolinone,3-methyl-6-nitro-

공급사50 곳

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추가 설명

정의ChEBI: An aminobenzoic acid in which the the amino group is ortho- to the carboxylic acid group, and which is substituted para- to the amino group by a nitro group.