Basic information
- CAS
112108-73-3- Standard SMILES
Cc1cc([N+](=O)[O-])c(F)cc1Cl- InChIKey
YXVJHZWHPLOEAP-UHFFFAOYSA-N- Molecular formula
- C7H5ClFNO2
- Average molar mass
- 189.57 g/mol
- Monoisotopic mass
- 188.9992843
Names & identifiers
- Preferred name
- 2-Chloro-4-fluoro-5-nitrotoluene
- IUPAC
- 1-chloro-5-fluoro-2-methyl-4-nitrobenzene
- English name
- 1-CHLORO-5-FLUORO-2-METHYL-4-NITRO-BENZENE
- Molecular formula
- C7H5ClFNO2
- Molecular weight
- 189.57
Names & synonyms
2-Chloro-4-fluoro-5-nitrotoluene112108-73-3DTXSID60435612RefChem:258751DTXCID60386438834-027-11-chloro-5-fluoro-2-methyl-4-nitrobenzene1-chloro-5-fluoro-2-methyl-4-nitro-benzeneMFCD11110549Benzene, 1-chloro-5-fluoro-2-methyl-4-nitro-2-Chloro-4fluoro-5-nitrotolueneAKOS006308726
Show more names
2-Chloro-4-fluoro-5-nitrotoluene,97%4-Chloro-2-fluoro-5-methylnitrobenzene1-CHLORO-5-FLUORO-2-METHYL-4-NITRO-BENZENE ISO 9001：2015 REACH4-Chloro-2-fluoro-5-methylnitrobenzene, 1-Chloro-5-fluoro-2-methyl-4-nitrobenzene
AS-11489C3273BCP12284FT-0699691SCHEMBL600893Chloro-4-fluoro-5-nitrotolueneSCHEMBL10714257SCHEMBL29936995
Database identifiers
- CAS
112108-73-3- PubChem CID
- 10103979
- DTXSID
DTXSID60435612- EC Number
- 834-027-1
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Melting point
- 34 · 34-36℃
- Boiling point
- 268 ℃ · 268℃
- Density
- 1.417 · 1.417
- Flash point
- 116 ℃ · 116℃
- storage temp.
- Sealed in dry,Room Temperature
- form
- Powder
- color
- Yellow
- Water Solubility
- Slightly soluble in water.
- InChI
- InChI=1S/C7H5ClFNO2/c1-4-2-7(10(11)12)6(9)3-5(4)8/h2-3H,1H3
- InChIKey
- YXVJHZWHPLOEAP-UHFFFAOYSA-N
- SMILES
- C1(Cl)=CC(F)=C([N+]([O-])=O)C=C1C
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
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
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 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
Hazard Classes and CategoriesAcute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)
Safety data
- wgk
- WGK 3
- hs_code
- 2904990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses2-Chloro-4-fluoro-5-nitrotoluene, is used as a pharmaceutical intermediate. It is also used as Ceritinib intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
上海策嵘生物科技有限公司[email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
Shanghai Yingrui Biopharma Co.,Ltd21-33585366 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海辅欣医药科技有限公司
Related reactions
25 records
Compound notes
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