1,8-Diaminonaphthalene (HCID 68067)

Overview

structure in first source

Names & identifiers

Preferred name: 1,8-Diaminonaphthalene
IUPAC: naphthalene-1,8-diamine
English name: 1,8-Diaminonaphthalene
Molecular formula: C10H10N2
Molecular weight: 158.2

Names & synonyms

1,8-Diaminonaphthalene479-27-61,8-NaphthalenediamineIKA7029YH9NSC-6081DTXSID6044432RefChem:417919DTXCID4024432207-529-8Naphthalene-1,8-diamine1,8-NaphthylenediamineMFCD00004033

Show more names

1,8-Diaminonaphthalene,99%1,8-DiaminonaphthaL8-Diaminonaphthalene1,8-Diaminonaphthale1,8-Naphthylendiamin1,8-DIAMINONAPHTHALONE1,8-DiaminonaphthalaneDIAMINONAPHTHALENE-1,8

NSC 6081EINECS 207-529-8UNII-IKA7029YH9AI3-03804CCRIS 83981,8-Diamine naphthaline; 1,8-Diaminonaphthalene; 1,8-Naphthylenediamine; NSC 60811,8-diaminonapthalene1,8-diamino naphthalene

Database identifiers

CAS: 479-27-6
PubChem CID: 68067
DTXSID: DTXSID6044432
ChEMBL: CHEMBL595537
UNII: IKA7029YH9
EC Number: 207-529-8
Nikkaji: J40.473J

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 52 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 142

Experimental & physicochemical properties

PolymersNitrogen Compounds -> Amines, Polyaromatic

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP1.78

Vapor Pressure0.0000293 [mmHg]

Physical DescriptionSolid; [Merck Index] Light brown crystalline solid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: 60 · 60-65 °C (lit.)
Boiling point: 205 °C/12 · 205 °C/12 mmHg (lit.)
Density: 1.1265 · 1.1265
vapor pressure: 0.011 Pa · 0.011Pa at 25℃
refractive index: 1.6829 · 1.6829
Flash point: 205 °C/12mm · 205°C/12mm
storage temp.: 30 °C · Store below +30°C.
solubility: methanol: soluble
form: Chunks or Crystalline Mass
pka: 4.46 · 4.46±0.10(Predicted)
color: Grayish-red to gray or dark brown
Water Solubility: slightly soluble
Merck: 14 · 14,6372
BRN: 742841 · 742841
Stability: Air Sensitive
InChI: 1S/C10H10N2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H,11-12H2
InChIKey: YFOOEYJGMMJJLS-UHFFFAOYSA-N
SMILES: Nc1cccc2cccc(N)c12
LogP: 1.335 · 1.335
CAS DataBase Reference: 479 · 479-27-6(CAS DataBase Reference)
FDA UNII: 7029 YH9 · IKA7029YH9
NIST Chemistry Reference: 1 · 1,8-Naphthalenediamine(479-27-6)
EPA Substance Registry System: 1 · 1,8-Naphthalenediamine (479-27-6)
UNSPSC Code: 12352116 · 12352116
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS08
Signal word: Warning
Hazard statements: 302 · H302-H317-H351
Precautionary statements: 201 · P201-P280-P301+P312+P330-P302+P352-P308+P313
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: Xn,Xi
Risk Statements: 22 · 22-40-43-36/37/38
Safety Statements: 36 · 36/37-36/37/39-26-24-36
RIDADR: 2811 · 2811
WGK Germany: 3 · 3
F: 8 · 8
Hazard Note: Irritant
TSCA: TSCA listed
HS Code: 29215940 · 29215940
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralAquatic · Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Carc. 2Skin Sens. 1
Toxicity: 50 orally · LD50 orally in Rabbit: 800 mg/kg
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (99.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 172 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: 1,8-Naphthalenediamine

Status: Active Update: 02-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/21285

1,8-Naphthalenediamine: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 item

May cause skin sensitization; Harmful by ingestion; [ECHA REACH Registrations] May cause irritation and skin sensitization; Harmful by ingestion; Suspected carcinogen; [Sigma-Aldrich MSDS] See p-Phenylenediamine and o-Phenylenediamine. See 1,5-Naphthalenediamine.

Hazard Classes and CategoriesAcute Tox. 4 (99.4%)

Toxicology

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.

Safety data

F: 8
PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
tsca: TSCA listed
ridadr: 2811
hs_code: 29215940
Toxicity: LD50 orally in Rabbit: 800 mg/kg
risk_code: 22-40-43-36/37/38
Signal word: Warning
Symbol(GHS): GHS07,GHS08
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 36/37-36/37/39-26-24-36
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H317-H351
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Carc. 2Skin Sens. 1
Precautionary statements: P201-P280-P301+P312+P330-P302+P352-P308+P313

Chemistry & industry

Uses & manufacturing

UsesUsed as an antioxidant for lubricating oils and for the detection of selenium and nitrites; [Merck Index] Used as an intermediate; [ECHA REACH Registrations]

General Manufacturing Information1,8-Naphthalenediamine: ACTIVE

Applications · 2 items

UsesLubricating-oil antioxidant, analytical reagent

Uses1,8-Diaminonaphthalene is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals. 1,8-Naphthalenediamine has minor use as an antioxidant for lubricating oils and as an analytical reagent for the detection of selenium and nitrites.