1-oxo-2,3-dihydro-1H-indene-5-carbonitrile

HCID 312896
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Basic information

CAS
25724-79-2
Standard SMILES
N#Cc1ccc2c(c1)CCC2=O
InChIKey
CAJDYMAFIOUARK-UHFFFAOYSA-N
Molecular formula
C10H7NO
Average molar mass
157.17 g/mol
Monoisotopic mass
157.05276385

Names & identifiers

Preferred name
1-oxo-2,3-dihydro-1H-indene-5-carbonitrile
IUPAC
1-oxo-2,3-dihydroindene-5-carbonitrile
English name
1-Oxo-2,3-dihydro-1H-indene-5-carbonitrile
Molecular formula
C10H7NO
Molecular weight
157.17

Names & synonyms

1-OXO-2,3-DIHYDRO-1H-INDENE-5-CARBONITRILERefChem:435322847-003-025724-79-22,3-Dihydro-1-oxo-1H-indene-5-carbonitrile5-Cyano-1-indanone1-oxo-2,3-dihydroindene-5-carbonitrile1-OXOINDANE-5-CARBONITRILEMFCD082346851-Oxoindan-5-carbonitrile1H-INDENE-5-CARBONITRILE, 2,3-DIHYDRO-1-OXO-NSC225101
Show more names
NSC 2251015-Cyano-1-Indenone5-Isocyano-2,3-dihydroinden-1-one23. 1-(3-amino-4-Pyridine)ethanol-1-OXO-2,3-DIHYDRO-1H-INDENE-5-CARBONITRIL
1-oxo-indan-5-carbonitrileSCHEMBL1031985SCHEMBL29741348DTXSID80310311CAJDYMAFIOUARK-UHFFFAOYSA-NAKOS006284496CS-W023175FS-2960

Database identifiers

CAS
25724-79-2
PubChem CID
312896
DTXSID
DTXSID80310311
EC Number
847-003-0
Nikkaji
J2.222.908G

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
40.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
12

Physicochemical properties

Melting point
128 · 128-130 °C
Boiling point
325.6 · 325.6±31.0 °C(Predicted)
Density
1.23 · 1.23±0.1 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
Appearance
Off-white to yellow Solid
InChI
InChI=1S/C10H7NO/c11-6-7-1-3-9-8(5-7)2-4-10(9)12/h1,3,5H,2,4H2

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): 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 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

Safety data

hs_code
2926907090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Suppliers100 total

上海康恩博医药科技有限公司17510465506 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
南京先景医药科技有限公司025-52760886 13073455575 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
北京依凯诺医药技术开发有限公司18518619637 · [email protected]

Related reactions

21 records
New reaction record

Compound notes

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