Basic information
- CAS
230-17-1- Standard SMILES
c1ccc2c(c1)nnc1ccccc12- InChIKey
SWJXWSAKHXBQSY-UHFFFAOYSA-N- Molecular formula
- C12H8N2
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.06874826
Names & identifiers
- Preferred name
- Benzo(c)cinnoline
- IUPAC
- benzo[c]cinnoline
- English name
- Benzo[c]cinnoline
- Molecular formula
- C12H8N2
- Molecular weight
- 180.21
Names & synonyms
Benzo[c]cinnoline230-17-1Diphenylenazone9,10-DiazaphenanthreneBENZO(C)CINNOLINE2,2'-Azobiphenyl5,6-Phenanthroline3,4-Benzocinnoline5,6-DiazaphenanthreneP346MC4QRLNSC-86935DTXSID8074289
Show more names
Benzoヽinnolinedibenzopyridazine
benzocinnolineRefChem:118215DTXCID8036786205-936-5o-DiphenyleneazinePhenazone (VAN)MFCD00004990NSC 86935
Database identifiers
- CAS
230-17-1、34524-78-2- PubChem CID
- 9190
- DTXSID
DTXSID8074289- ChEMBL
CHEMBL1652414- UNII
- P346MC4QRL
- EC Number
- 205-936-5
- Nikkaji
- J5.435F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 182
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP2.71
Physicochemical properties
- Melting point
- 156 · 156-159 °C
- Boiling point
- 303.03 °C · 303.03°C (rough estimate)
- Density
- 1.1836 · 1.1836 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 2.8 · 2.80±0.10(Predicted)
- form
- Crystalline Powder
- color
- Yellow-green
- BRN
- 126519 · 126519
- CAS DataBase Reference
- 230 · 230-17-1(CAS DataBase Reference)
- FDA UNII
- 346 MC4QRL · P346MC4QRL
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 7.1% (3 of 42) of reports.
Warning
H302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (92.9%)
Safety data
- hs_code
- 29333999
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 24/25-36-26
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers50 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
Related reactions
1 records
Compound notes
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