Basic information
- CAS
196-42-9- Standard SMILES
c1ccc2cc3c(cc2c1)cc1ccc2cccc4ccc3c1c24- InChIKey
AXSJLZJXXUBRBS-UHFFFAOYSA-N- Molecular formula
- C24H14
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.10955045
Names & identifiers
- Preferred name
- Naphtho(2,3-a)pyrene
- IUPAC
- hexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene
- English name
- NAPHTHO[2,3-A]PYRENE
- Molecular formula
- C24H14
- Molecular weight
- 302.37
Names & synonyms
Naphtho[2,3-a]pyrene196-42-9naphtho(2,3-a)pyreneRefChem:164722631-564-1Naphtho[2,1,8-qra]tetraceneNaphtho[2,1,8-qra]naphthaceneNaphtho[23-a]pyreneMFCD00191469Naphtho[2,3-alpha]pyreneNAPHTHO(2,1,8-QRA)NAPHTHACENEhexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene
Show more names
NaphthopyreneNaphtho[2,3-b]pyreneNaphtho[2,3-a]pyrene>NAPHTHO[2,3-ALPHA]PYRENENAPHTHO[2,3-A]PYRENE 98+%
hexacyclo[14.6.2.0(2),(1)(1).0?,?.0(1)(3),(2)(3).0(2)?,(2)?]tetracosa-1(23),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaeneNaphthol[2,3-a]pyreneCCRIS 8723SCHEMBL3976910SCHEMBL18546807SCHEMBL18546808SCHEMBL29944899DTXSID40173262
Database identifiers
- CAS
196-42-9- PubChem CID
- 9137
- DTXSID
DTXSID40173262- EC Number
- 631-564-1
- Nikkaji
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 480
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
Physicochemical properties
- Melting point
- 272 · 272-273 °C(lit.)
- Boiling point
- 552.3 · 552.3±17.0 °C(Predicted)
- Density
- 1.313 · 1.313±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- color
- Light yellow to Brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- ridadr
- 2811
- hs_code
- 2902.90.9000
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
Chemistry & industry
Applications
UsesNaphtho[2,3-a]pyrene is a polycyclic aromatic hydrocarbon and have been investigated for environmental effects, carcinogenicity and potential as a human cell mutagen.
Suppliers29 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [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]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…