Basic information
- CAS
18515-14-5- Standard SMILES
Cc1cc(CCl)ccc1[N+](=O)[O-]- InChIKey
DLYHOEXVOPOBAJ-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO2
- Average molar mass
- 185.61 g/mol
- Monoisotopic mass
- 185.02435618
Names & identifiers
- Preferred name
- Alpha-chloro-3-methyl-4-nitrotoluene
- IUPAC
- 4-(chloromethyl)-2-methyl-1-nitrobenzene
- English name
- alpha-chloro-3-methyl-4-nitrotoluene
- Molecular formula
- C8H8ClNO2
- Molecular weight
- 185.60762
Names & synonyms
18515-14-54-(chloromethyl)-2-methyl-1-nitrobenzenealpha-Chloro-3-methyl-4-nitrotolueneEINECS 242-392-8DTXSID00171724RefChem:555439DTXCID2094215242-392-83-Methyl-4-nitrobenzyl chlorideL2HF79UN9PSCHEMBL550670AKOS024340689
Show more names
α-chloro-3-methyl-4-nitrotoluene1-Chloromethyl-3-methyl-4-nitrobenzene
4-chloromethyl-2-methyl-1-nitro-benzeneNS00026070Benzene, 4-(chloromethyl)-2-methyl-1-nitro-G55469EN300-1984114
Database identifiers
- CAS
18515-14-5- PubChem CID
- 87687
- DTXSID
DTXSID00171724- UNII
- L2HF79UN9P
- EC Number
- 242-392-8
- Nikkaji
- J222.229I
Properties
Computed structural properties
- XLogP
- 2.5
- 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
- 169
Physicochemical properties
- Boiling point
- 299.1 · 299.1±25.0 °C(Predicted)
- Density
- 1.277 · 1.277±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- HS Code
- 2904990090 · 2904990090
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, 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.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- hs_code
- 2904990090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
19 records
Compound notes
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