Basic information
- CAS
135-65-9- Standard SMILES
O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2ccccc2cc1O- InChIKey
YZJSKRBKHCLMQC-UHFFFAOYSA-N- Molecular formula
- C17H12N2O4
- Average molar mass
- 308.29 g/mol
- Monoisotopic mass
- 308.07970687
Overview
3-hydroxy-3'-nitro-2-naphthanilide is an organic molecular entity.
Names & identifiers
- Preferred name
- 3-Hydroxy-3'-nitro-2-naphthanilide
- IUPAC
- 3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
- English name
- 3-Hydroxy-N-(3-nitrophenyl)-2-naphthalenecarboxamide
- Molecular formula
- C17H12N2O4
- Molecular weight
- 308.29
Names & synonyms
135-65-93-Hydroxy-3'-nitro-2-naphthanilideNaphthol AS-BS3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamideNaphtanilide BSAzoic Coupling Component 17Naphtazol BAcna Naphthol MAmarthol AS-BSNaphtol AS-BSIrganaphthol RMDragonthol BS
Show more names
AS-BSDiatholBSNaphtazolBc.i. 37515CINO.37515Conazoic ALAzoic C.C.17AcnaNaphtholMNAPTHOL AS-BS
Naphthanil BSNaphthoide BSNaphtoelan BSAzoground BSAzonaphtol MNASolunaptol MNLAcco Naphthol AS-BSBrenthol MN
Database identifiers
- CAS
135-65-9- PubChem CID
- 67277
- DTXSID
DTXSID3044544- ChEMBL
CHEMBL65374- ChEBI
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 450
Experimental & physicochemical properties
Collision Cross Section170.2 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID3044544]
Physicochemical properties
- Melting point
- 246 · 246-247°C
- Boiling point
- 448 · 448.0±30.0 °C(Predicted)
- Density
- 1.449 · 1.449±0.06 g/cm3(Predicted)
- vapor pressure
- 0.001 Pa · 0.001Pa at 20℃
- form
- Solid:particulate/powder
- Colour Index
- 37515 · 37515
- pka
- 8.65 · 8.65±0.40(Predicted)
- color
- Light yellow to Brown to Dark green
- LogP
- 4.3 at · 4.3 at 23℃ and pH7.1-7.5
- CAS DataBase Reference
- 135 · 135-65-9(CAS DataBase Reference)
- FDA UNII
- 8 K775B2J7E · 8K775B2J7E
- EPA Substance Registry System
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 71.4% (105 of 147) of all reports.
Warning
H319 (28.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 147 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2-Naphthalenecarboxamide, 3-hydroxy-N-(3-nitrophenyl)-
REACH registered substance: 3-hydroxy-3'-nitro-2-naphthanilide (EC: 205-209-2)
2-Naphthalenecarboxamide, 3-hydroxy-N-(3-nitrophenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesEye Irrit. 2 (28.6%)
Safety data
- tsca
- TSCA listed
- hs_code
- 29420000
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 36-26
- Hazard statements
- H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P337+P313-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenecarboxamide, 3-hydroxy-N-(3-nitrophenyl)-: ACTIVE
Applications
Uses3-Hydroxy-N-(3-nitrophenyl)-2-naphthalenecarboxamide is mainly used as a red base agent for dyeing and printing cotton fabrics. It is generally used in combination with Naphthol AS to produce colors such as bright red and rose red. When combined with red base R, it produces rose red; when combined with red base G, it produces a brilliant bluish-pink. When mixed with Naphthol AS or Naphthol AS-OL as a base agent and then combined with red base G, a very vibrant red color can be obtained. It can also be used to dye vinylon, viscose fiber, and silk, and is used in the manufacture of fast pigments, neutral pigments, and organic pigment intermediates. It can also be used as a raw material to produce the organic pigment toluidine purple-red.
Preparation methods
PreparationM-nitroaniline and 3-Hydroxy-2-naphthoic acidcondensation.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…