CAS 3027-38-1 Naphthalic anhydride, 3-nitro- (HCID 18194)

Names & identifiers

Preferred name: Naphthalic anhydride, 3-nitro-
IUPAC: 7-nitro-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
English name: 3-NITRO-1,8-NAPHTHALIC ANHYDRIDE
Molecular formula: C12H5NO5
Molecular weight: 243.17

Names & synonyms

3-Nitro-1,8-naphthalic anhydrideNAPHTHALIC ANHYDRIDE, 3-NITRO-3-Nitronaphthalic anhydride1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 5-nitro-NSC 323261H,3H-Naphtho(1,8-cd)pyran-1,3-dione, 5-nitro-BRN 0023762DTXSID101843605-17-11-00495 (Beilstein Handbook Reference)RefChem:831985DTXCID20106851629-274-5

Show more names

SKL058NSC323263-nitro-naphthalicanhydrid3-NITRO-1,8-NAPHTHALIC ANHYDRIDE 99%3-Nitro-1,8-naphthalic anhydride,99%

3027-38-15-Nitrobenzo[de]isochromene-1,3-dione5-Nitro-1H,3H-benzo[de]isochromene-1,3-dioneMFCD000069267-nitro-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione5-nitro-1h,3h-naphtho[1,8-cd]pyran-1,3-dioneSCHEMBL1565380CHEMBL2323376

Database identifiers

CAS: 3027-38-1
PubChem CID: 18194
DTXSID: DTXSID10184360
ChEMBL: CHEMBL2323376
UNII: FPU8T5W9GP
EC Number: 629-274-5
Nikkaji: J236.690H

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 89.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 18
Formal charge: 0
Complexity: 415

Physicochemical properties

Melting point: 247 · 247-249 °C (dec.) (lit.)
Boiling point: 386.04 °C · 386.04°C (rough estimate)
Density: 1.4429 · 1.4429 (rough estimate)
refractive index: 1.45 · 1.4500 (estimate)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: DMSO (Slightly), Methanol (Slightly, Heated, Sonicated)
form: Powder
color: Light yellow to beige or light brown
BRN: 23762 · 23762
InChI: InChI=1S/C12H5NO5/c14-11-8-3-1-2-6-4-7(13(16)17)5-9(10(6)8)12(15)18-11/h1-5H
InChIKey: FLFLZYYDLIKGJQ-UHFFFAOYSA-N
SMILES: C1(=O)OC(=O)C2=CC([N+]([O-])=O)=CC3=C2C1=CC=C3
CAS DataBase Reference: 3027 · 3027-38-1(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
RTECS: 5370000 · QK5370000
F: 10 · 10-21
HazardClass: IRRITANT
HS Code: 29163900 · 29163900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

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 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 07-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19205

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F: 10-21
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
rtecs: QK5370000
hs_code: 29163900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
REACH Registrations: Active
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses3-Nitro-1,8-naphthalic anhydride is a reagent used to synthesize a monoboronic acid fluorescent sensor that exhibits emission suitable for ratiometric testing and also displays sensitivity for glucose relative to fructose and galactose. 3-Nitro-1,8-naphthalic anhydride is also used as a starting reagent in the synthesis of 5-substituted naphthalimide derivatives which exhibit high anti-cancer activity.