Completing data — usually done within a minute
Basic information
- CAS
63006-15-5- Standard SMILES
O=C=NC1CC1c1ccccc1- InChIKey
DYUXVJAFBUZREW-UHFFFAOYSA-N- Molecular formula
- C10H9NO
- Average molar mass
- 159.18 g/mol
- Monoisotopic mass
- 159.06841391
Names & identifiers
- Preferred name
- (2-Isocyanatocyclopropyl)benzene
- IUPAC
- (2-isocyanatocyclopropyl)benzene
Names & synonyms
(2-Isocyanatocyclopropyl)benzene63006-15-5RefChem:395938827-303-863009-74-5SCHEMBL134488DYUXVJAFBUZREW-UHFFFAOYSA-NAKOS009158374DB-054370DB-344593NS00029760EN300-81047
Show more names
Z1094720198
Database identifiers
- CAS
63006-15-5- PubChem CID
- 582709
- EC Number
- 827-303-8
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 202
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P233, P260, P261, P264, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P342+P316, P362+P364, P363, P391, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Corr. 1B (100%)；Skin Sens. 1 (100%)；Acute Tox. 3 (100%)；Resp. Sens. 1 (100%)；Aquatic Chronic 2 (100%)
Related reactions
25 records
Compound notes
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