Basic information
- CAS
13290-74-9- Standard SMILES
Cc1cc([N+](=O)[O-])ccc1Cl- InChIKey
BGDCQZFFNFXYQC-UHFFFAOYSA-N- Molecular formula
- C7H6ClNO2
- Average molar mass
- 171.58 g/mol
- Monoisotopic mass
- 171.0087061
Names & identifiers
- Preferred name
- Benzene, 1-chloro-2-methyl-4-nitro-
- IUPAC
- 1-chloro-2-methyl-4-nitrobenzene
- English name
- 2-Chloro-5-nitrotoluene
- Molecular formula
- C7H6ClNO2
- Molecular weight
- 171.58
Names & synonyms
2-Chloro-5-nitrotoluene13290-74-91-Chloro-2-methyl-4-nitrobenzeneBenzene, 1-chloro-2-methyl-4-nitro-3-Nitro-6-chlorotolueneEINECS 236-306-82-Methyl-4-nitrochlorobenzeneDTXSID8065402RefChem:562439DTXCID2034122236-306-84-Chloro-3-methylnitrobenzene
Show more names
2-Chloro-5-nitoro-5-nitrotoLChloronitroluene,98%2-Chloro-5-nitrotoluneToltrazuril Impurity B2-Chloro-5-nitrotoluene >
MFCD000414301-chloro-2-methyl-4-nitro-benzene2-Chloro-5-nitroluene5-Nitro-2-chlorotoluene2-chloro-5-nitro-tolueneSCHEMBL305393SCHEMBL3040448SCHEMBL7759311
Database identifiers
- CAS
13290-74-9- PubChem CID
- 83315
- DTXSID
DTXSID8065402- EC Number
- 236-306-8
- Nikkaji
- J141.339B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Melting point
- 40 · 40-44 °C
- Boiling point
- 94 · 94-96°C 4mm
- Density
- 1.3246 · 1.3246 (rough estimate)
- refractive index
- 1.5377 · 1.5377 (estimate)
- Flash point
- 94 · 94-96°C/4mm
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Yellow to Green
- BRN
- 2044766 · 2044766
- InChI
- 1S/C7H6ClNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3
- InChIKey
- BGDCQZFFNFXYQC-UHFFFAOYSA-N
- SMILES
- Cc1cc(ccc1Cl)[N+]([O-])=O
- CAS DataBase Reference
- 13290 · 13290-74-9(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · 2-Chloro-5-nitrotoluene (13290-74-9)
- UNSPSC Code
- 12352100 · 12352100
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (98.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (15.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (15.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (15.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (15.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H373 (11.9%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 59 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory InformationStatus: Active Update: 11-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/26355
Hazard Classes and CategoriesAcute Tox. 4 (98.3%)；Acute Tox. 4 (15.3%)；Skin Irrit. 2 (15.3%)；Eye Irrit. 2 (15.3%)；Acute Tox. 4 (15.3%)；STOT RE 2 (11.9%)
Regulatory information
Regulatory InformationStatus: Active Update: 11-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/26355
Safety data
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-chloro-2-methyl-4-nitro-: INACTIVE
Applications
Uses2-Chloro-5-nitrotoluene can be used to synthesize diazo photosensitive materials, microwave photography, and other applications.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
16 records
Compound notes
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