Basic information
- CAS
69422-57-7- Standard SMILES
O=[N+]([O-])c1ccc(Cl)c(CCl)c1- InChIKey
HORIWLYGDAZMKL-UHFFFAOYSA-N- Molecular formula
- C7H5Cl2NO2
- Average molar mass
- 206.02 g/mol
- Monoisotopic mass
- 204.9697338
Names & identifiers
- Preferred name
- 1-Chloro-2-(chloromethyl)-4-nitrobenzene
- IUPAC
- 1-chloro-2-(chloromethyl)-4-nitrobenzene
- English name
- 1-chloro-2-(chloromethyl)-4-nitrobenzene
- Molecular formula
- C7H5Cl2NO2
- Molecular weight
- 206.03
Names & synonyms
1-chloro-2-(chloromethyl)-4-nitrobenzene69422-57-7DTXSID10301631RefChem:229266DTXCID602527652-chloro-5-nitrobenzyl chlorideNSC145030SCHEMBL8632492-chloro-5-nitrobenzylchlorideHORIWLYGDAZMKL-UHFFFAOYSA-N4-nitro-2-chloromethylchlorobenzeneUCA42257
Show more names
AKOS013456465NSC-145030DB-122098EN300-77118Benzene, 1-chloro-2-(chloromethyl)-4-nitro-H52221
Database identifiers
- CAS
69422-57-7- PubChem CID
- 286563
- DTXSID
DTXSID10301631- EC Number
- 999-833-9
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
Physicochemical properties
- Melting point
- 66 °C · 66 °C
- Boiling point
- 317.9 · 317.9±27.0 °C(Predicted)
- Density
- 1.462 · 1.462±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302-H314
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers6 total
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
青州达丰进出口有限公司16773308882 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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