Basic information
- CAS
1010-60-2- Standard SMILES
O=C1C=C(Cl)C(=O)c2ccccc21- InChIKey
CCTJHVLTAJTPBV-UHFFFAOYSA-N- Molecular formula
- C10H5ClO2
- Average molar mass
- 192.6 g/mol
- Monoisotopic mass
- 191.99780708
Overview
2-chloro-1,4-naphthoquinone is a member of 1,4-naphthoquinones and an organochlorine compound.
Names & identifiers
- Preferred name
- 2-Chloro-1,4-naphthoquinone
- IUPAC
- 2-chloronaphthalene-1,4-dione
- English name
- 2-Chloro-1,4-naphthoquinone
- Molecular formula
- C10H5ClO2
- Molecular weight
- 192.6
Names & synonyms
2-Chloro-1,4-naphthoquinone1010-60-22-chloronaphthalene-1,4-dione2-Chloronaphthoquinone1,4-Naphthalenedione, 2-chloro-1,4-NAPHTHOQUINONE, 2-CHLORO-FOF3PSJ59ZDTXSID00143623NSC-400597CHEBI:28160RefChem:86114DTXCID5066114
Show more names
2-Chloro-1,4-naphthaquinone2-Chloro-1AURORA KA-5008RARECHEM BW GC 00082-chloro-4-naphthoquinonechloro-1,4-naphthoquinone2-CHLORO-1,4-NAPHTHAUINONE
213-776-2NSC 400597MFCD00029187BRN 18670452-chloro-1,4-naphthquinoneSCHEMBL917548WLN: L66 BV EVJ CG2-chloro-1,4-dihydronaphthalene-1,4-dione
Database identifiers
- CAS
1010-60-2- PubChem CID
- 13891
- DTXSID
DTXSID00143623- ChEMBL
CHEMBL349147- ChEBI
CHEBI:28160
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 293
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
LogP2.15
Physicochemical properties
- Melting point
- 108 · 108-109°C
- Boiling point
- 308 · 308.0±42.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Chloroform (Slightly)
- form
- Solid
- color
- Yellow to Dark Yellow
- λmax
- 333 nm · 333nm(Hexane)(lit.)
- Stability
- Moisture Sensitive
- InChI
- InChI=1S/C10H5ClO2/c11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-5H
- InChIKey
- CCTJHVLTAJTPBV-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C=CC=C2)C(=O)C=C1Cl
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.
Danger
H301 (14.3%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (14.3%)
Safety data
- rtecs
- QL7450000
- hs_code
- 2914698090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
UsesA substituted naphthoquinones as insecticides and acaricides.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Related reactions
23 records
Compound notes
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