4-Aminonaphthalene-1,8-dicarboxylic anhydride

HCID 80990

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Basic information

CAS: 6492-86-0
Standard SMILES: Nc1ccc2c3c(cccc13)C(=O)OC2=O
InChIKey: QIXHMCMCFSNKOG-UHFFFAOYSA-N
Molecular formula: C12H7NO3
Average molar mass: 213.19 g/mol
Monoisotopic mass: 213.04259308

Names & identifiers

Preferred name: 4-Aminonaphthalene-1,8-dicarboxylic anhydride
IUPAC: 8-amino-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
English name: 4-Amino-1,8-naphthalic anhydride
Molecular formula: C12H7NO3
Molecular weight: 213.19

Names & synonyms

EINECS 229-372-44-Aminonaphthalene-1,8-dicarboxylic anhydrideNSC 7564DTXSID10215229RefChem:518251DTXCID60137720229-372-46492-86-04-Amino-1,8-naphthalic anhydride6-Aminobenzo[de]isochromene-1,3-dioneMFCD00009776Naphthalic anhydride, 4-amino-

Show more names

4-ANITIMTEC-BB SBB003425TIMTEC-BB SBB0005298-naphthalic anhydride4-AMINO-1,8-NAPHTHALIMIDE4-amino-1,8-naphthoic anhydride4-AMINONAPHTHALIC ACID ANHYDRIDE

6-amino-1h,3h-benzo[de]isochromene-1,3-dione4-Amino-1.8-naphthalic anhydride4-Amino-1,8-naphthalenedicarboxylic anhydrideCHEMBL2323375BDBM504268868-amino-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dioneAC-67181H,8-cd]pyran-1,3-dione, 6-amino-

Database identifiers

CAS: 6492-86-0
PubChem CID: 80990
DTXSID: DTXSID10215229
ChEMBL: CHEMBL2323375
EC Number: 229-372-4
Nikkaji: J8.415H

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 69.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 16
Formal charge: 0
Complexity: 341

Physicochemical properties

Melting point: 360 °C · 360 °C
Boiling point: 501.4 · 501.4±33.0 °C(Predicted)
Density: 1.105 g/mL · 1.105 g/mL at 25 °C(lit.)
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
pka: 1.15 · 1.15±0.20(Predicted)
form: powder
Appearance: Yellow to brown Solid
InChI: InChI=1S/C12H7NO3/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(14)16-12(8)15/h1-5H,13H2
InChIKey: QIXHMCMCFSNKOG-UHFFFAOYSA-N
SMILES: C1(=O)OC(=O)C2=CC=C(N)C3=C2C1=CC=C3
CAS DataBase Reference: 6492 · 6492-86-0(CAS DataBase Reference)
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07,GHS08
Signal word: Danger
Hazard statements: 302 · H302+H312+H332-H315-H319-H335-H350
Precautionary statements: 280 · P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338-P308+P313
target organs: Respiratory system
PPE: 2 · Eyeshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard Codes: T
Risk Statements: 45 · 45-20/21/22-36/37/38
Safety Statements: 53 · 53-22-26-36/37/39-45
WGK Germany: 3 · 3
RTECS: 4081000 · DE4081000
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 1BEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE: Eyeshields, Gloves, type P2 (EN 143) respirator cartridges
wgk: 3
rtecs: DE4081000
risk_code: 45-20/21/22-36/37/38
Signal word: Danger
Symbol(GHS): GHS07,GHS08
hazard_code: T
safety_code: 53-22-26-36/37/39-45
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
target organs: Respiratory system
Hazard statements: H302+H312+H332-H315-H319-H335-H350
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 1BEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338-P308+P313