alpha,4-Dichloro-2-nitrotoluene
Basic information
- CAS
693225-87-5- Standard SMILES
O=[N+]([O-])c1cc(Cl)cc(CCl)c1- InChIKey
QBIQAXWMONJLNW-UHFFFAOYSA-N- Molecular formula
- C7H5Cl2NO2
- Average molar mass
- 206.02 g/mol
- Monoisotopic mass
- 204.9697338
Names & identifiers
- Preferred name
- alpha,4-Dichloro-2-nitrotoluene
- IUPAC
- 1-chloro-3-(chloromethyl)-5-nitrobenzene
Names & synonyms
EINECS 213-345-9alpha,4-Dichloro-2-nitrotolueneRefChem:555008213-345-91-chloro-3-(chloromethyl)-5-nitrobenzene693225-87-5SCHEMBL14784786SCHEMBL29796201DTXSID10917913QBIQAXWMONJLNW-UHFFFAOYSA-NAB75579G28255
Show more names
EN300-7866105
Database identifiers
- CAS
693225-87-5、938-71-6- PubChem CID
- 70314
- DTXSID
DTXSID10917913- EC Number
- 185-976-7、213-345-9
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 171
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Skin Corr. 1B (100%)
Acute Tox. 4 (100%)
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Related reactions
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Compound notes
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