2-Naphthalenecarbonitrile (HCID 11944)

Overview

structure in first source

Names & identifiers

Preferred name: 2-Naphthalenecarbonitrile
IUPAC: naphthalene-2-carbonitrile
English name: 2-Naphthonitrile
Molecular formula: C11H7N
Molecular weight: 153.18

Names & synonyms

2-Naphthonitrile613-46-72-Cyanonaphthalene2-NAPHTHALENECARBONITRILE2-Cyanonaphthylene2-Naphthalenenitrilebeta-Naphthonitrilebeta-CyanonaphthaleneDQG8D8B4F6NSC-4169DTXSID7060621RefChem:88638

Show more names

NSC4169NSC 41692-phthonitrileB-NAPHTHONITRILE2-Naphthonitirle2-cyanonaphtalene

DTXCID5043001210-344-5NAPHTHALENE-2-CARBONITRILEMFCD00016807.beta.-Naphthonitrile2-Naphthylcyanide.beta.-CyanonaphthaleneAI3-00234

Database identifiers

CAS: 613-46-7
PubChem CID: 11944
DTXSID: DTXSID7060621
UNII: DQG8D8B4F6
EC Number: 210-344-5
Nikkaji: J95.584A

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 200

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: 63 · 63-68 °C
Boiling point: 156 · 156-158°C 12mm
Density: 1.0755 · 1.0755
refractive index: 1.621 · 1.6210 (estimate)
Flash point: 156 · 156-158°C/12mm
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Benzene,Methanol
form: Crystalline Powder
color: Off-white to beige
BRN: 1363868 · 1363868
InChI: 1S/C11H7N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H
InChIKey: AZKDTTQQTKDXLH-UHFFFAOYSA-N
SMILES: N#Cc1ccc2ccccc2c1
CAS DataBase Reference: 613 · 613-46-7(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 8 D8B4F6 · DQG8D8B4F6
NIST Chemistry Reference: 2 · 2-Naphthalenecarbonitrile(613-46-7)
EPA Substance Registry System: 2 · 2-Naphthalenecarbonitrile (613-46-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 300 · H300-H315-H318-H335
Precautionary statements: 280 · P280-P301+P310+P330-P302+P352-P305+P351+P338+P310
target organs: Respiratory system
PPE: 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard Codes: Xn,N,T
Risk Statements: 20 · 20/21/22-51/53-41-37/38-25
Safety Statements: 36 · 36/37-61-45-36/37/39-26-39
RIDADR: 3276 · 3276
WGK Germany: 3 · 3
RTECS: 5976350 · QL5976350
TSCA: TSCA listed
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29269090 · 29269090
Storage Class: 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: 2 OralEye · Acute Tox. 2 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H300 (88.6%): Fatal if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 2 (88.6%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
wgk: 3
tsca: TSCA listed
rtecs: QL5976350
ridadr: 3276
hs_code: 29269090
risk_code: 20/21/22-51/53-41-37/38-25
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: Xn,N,T
safety_code: 36/37-61-45-36/37/39-26-39
hazard_class: 6.1
Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
packing_group: III
target organs: Respiratory system
Hazard statements: H300-H315-H318-H335
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 2 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P280-P301+P310+P330-P302+P352-P305+P351+P338+P310

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Naphthalenecarbonitrile: INACTIVE

Applications · 1 item

Uses2-Cyanonaphthalene [613-46-7], bnaphthonitrile, 2-naphthoic acid nitrile, Mr 153.17, mp 66℃, bp 303℃, forms colorless crystals that are readily soluble in ethanol. It is used in organic synthesis and suitable as a reaction medium for obtaining propylene from ethylene and 2-butene by olefin metathesis.