5-Nitroanthranilsure

2-Amino-5-nitrobenzoic acid

HCID 12032CAS 616-79-5

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Nc1ccc([N+](=O)[O-])cc1C(=O)O
InChIKey: RUCHWTKMOWXHLU-UHFFFAOYSA-N
Summenformel: C7H6N2O4
Durchschnittliche Molmasse: 182,13 g/mol
Monoisotopische Masse: 182,03275667

Überblick

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.

Namen und Bezeichner

Bevorzugter Name: 2-Amino-5-nitrobenzoic acid
IUPAC: 2-amino-5-nitrobenzoic acid
Lokaler Name: 5-Nitroanthranilsure
Englischer Name: 2-Amino-5-nitrobenzoic acid
Summenformel: C7H6N2O4
Molmasse: 182.13

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 109 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 225

Physikochemische Eigenschaften

Schmelzpunkt: 270 °C · 270 °C (dec.) (lit.)
Siedepunkt: 315.51 °C · 315.51°C (rough estimate)
Dichte: 1.5181 · 1.5181 (rough estimate)
Brechungsindex: 1.588 · 1.5880 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Insoluble
Aggregatzustand: Powder
pka: 4.08 · 4.08±0.10(Predicted)
Farbe: Bright yellow
Wasserlöslichkeit: Insoluble
BRN: 646219 · 646219
Major Application: peptide synthesis
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
CAS Datenbank: 616 · 616-79-5(CAS DataBase Reference)
EPA chemische Informationen: 2 · Benzoic acid, 2-amino-5-nitro- (616-79-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
hs_code: 29224999
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzoic acid, 2-amino-5-nitro-: ACTIVE

Anwendungen

Verwenden2-Amino-5-nitrobenzoic acid, is used as an intermediate for dyes and pharmaceuticals.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

2-Amino-4-nitrobenzoesäure

Nachgelagerte Produkte

2-Iodo-5-nitrobenzoic acid 2,5-diaminobenzoic acid 6-Nitro-2H-3,1-benzoxazin-2,4(1H)-dion Tetranatrium-2-[[2-amino-6-[[4-[[4-[(3-carboxylato-4-hydroxyphenyl)azo]-7-sulfonato-1-naphthyl]azo]-2,5-dimethoxyphenyl]azo]-5-hydroxy-7-sulfonato-1-naphthyl]azo]-5-nitrobenzoat DIRECT BLACK 91 Chromat(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-)]-, Dinatrium Tetranatrium-3,3'-(carbonyldiimino)bis[6-[[1-hydroxy-6-(phenylamino)-3-sulfonato-2-naphthyl]azo]benzoat]4(3H)-Quinazolinone,3-methyl-6-nitro-

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: 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.