2-Naphthyl isocyanate

HCID 16718CAS 2243-54-1

Basic information

Standard SMILES
O=C=Nc1ccc2ccccc2c1
InChIKey
XIXJQNFTNSQTBT-UHFFFAOYSA-N
Molecular formula
C11H7NO
Average molar mass
169.18 g/mol
Monoisotopic mass
169.05276385

Names & identifiers

Preferred name
2-Naphthyl isocyanate
IUPAC
2-isocyanatonaphthalene
English name
2-Naphthyl isocyanate
Molecular formula
C11H7NO
Molecular weight
169.18

Names & synonyms

2-Naphthyl isocyanate2-Isocyanatonaphthalene2243-54-12-NaphthylisocyanateNAPHTHALENE, 2-ISOCYANATO-9ZE6124VOINSC-5529BETA-NAPHTHYL ISOCYANATEDTXSID00176956RefChem:88646DTXCID0099447218-815-7
Show more names
β-Naphthyl isocyanate2-Naphthyl Isocyanate ,97%
beta-NaphthylisocyanateMFCD00014319.beta.-Naphthyl isocyanatenaphthalen-2-isocyanate2-naphthalenyl isocyanate2-isocyanato-naphthalene2-naphtyl isocyanate2-isocyanato-naphthalen

Database identifiers

CAS
2243-54-1
PubChem CID
16718
DTXSID
DTXSID00176956
UNII
9ZE6124VOI
EC Number
218-815-7
Nikkaji
J95.523J

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
29.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Melting point
53 · 53-56 °C (lit.)
Boiling point
83 °C/0.2 · 83 °C/0.2 mmHg (lit.)
Density
1.1616 · 1.1616 (rough estimate)
refractive index
1.49 · 1.4900 (estimate)
form
Chunks
color
White

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (90.9%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (90.9%): Harmful if inhaled [Warning Acute toxicity, inhalation];H334 (13.6%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, 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.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (90.9%);Acute Tox. 4 (90.9%);Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);Acute Tox. 4 (90.9%);Resp. Sens. 1 (13.6%);STOT SE 3 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
rtecs
QJ7950000
ridadr
UN 3335
hs_code
29291090
risk_code
20/21/22-36/37/38

Chemistry & industry

Applications

Uses2-Naphthyl Isocyanate is a genotoxicant.

General Description2-Naphthyl isocyanate is an aromatic isocyanate. It is formed during the rat liver microsome catalyzed oxidative metabolism of 2-naphthyl isothiocyanate.

Suppliers40 total

上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
南京翔睿科技有限公司021-021-00000000 15715199582
河南赢创生物科技有限公司16650615803 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Related reactions

21 records

Linked notes

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