1,10-Phenanthroline-2-carbonitrile

HCID 680341
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Basic information

CAS
1082-19-5
Standard SMILES
N#Cc1ccc2ccc3cccnc3c2n1
InChIKey
LSMQCFPLQFCYAW-UHFFFAOYSA-N
Molecular formula
C13H7N3
Average molar mass
205.21 g/mol
Monoisotopic mass
205.06399724

Names & identifiers

Preferred name
1,10-Phenanthroline-2-carbonitrile
IUPAC
1,10-phenanthroline-2-carbonitrile
English name
2-cyano-1,10-phenanthroline
Molecular formula
C13H7N3
Molecular weight
205.21

Names & synonyms

1,10-phenanthroline-2-carbonitrile1082-19-5DTXSID80350474RefChem:214110DTXCID203015412-cyano-1,10-phenanthrolineMFCD18431788[1,10]phenanthroline-2-carbonitrileOprea1_671373SCHEMBL1996991AS-75783CS-0144693
Show more names
1,10-Phenanthroline-2-carbonitrile - [P94038]
D95582AMY121FT-0723973C13H7N3BAA08219DA-15792SY270700F619456

Database identifiers

CAS
1082-19-5
PubChem CID
680341
DTXSID
DTXSID80350474
EC Number
808-717-8
Nikkaji
J1.746.322E

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
49.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
16

Physicochemical properties

Melting point
241 ℃ · 241℃ (ethanol )
Boiling point
445.3 · 445.3±25.0 °C(Predicted)
Density
1.33 · 1.33±0.1 g/cm3 (20 ºC 760 Torr)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
pka
4 · 4.00±0.10(Predicted)
Appearance
White to light brown Solid

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 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 (100%)；Eye Dam. 1 (100%)

Safety data

Signal word
Danger
Symbol(GHS)
GHS07,GHS05
Hazard statements
H302-H318
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers48 total

上海康恩博医药科技有限公司17510465506 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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