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Basic information
- CAS
825-41-2- Standard SMILES
Nc1ccc([N+](=O)[O-])c(Cl)c1- InChIKey
LDSIOPGMLLPSSR-UHFFFAOYSA-N- Molecular formula
- C6H5ClN2O2
- Average molar mass
- 172.57 g/mol
- Monoisotopic mass
- 172.0039551
Names & identifiers
- Preferred name
- 3-Chloro-4-nitroaniline
- IUPAC
- 3-chloro-4-nitroaniline
- English name
- 3-Chloro-4-nitroaniline
- Molecular formula
- C6H5ClN2O2
- Molecular weight
- 172.57
Names & synonyms
3-Chloro-4-nitroanilineBenzenamine, 3-chloro-4-nitro-Aniline, 3-chloro-4-nitro-3-Chloro-4-nitrobenzenamineDTXSID40231795NSC 39966RefChem:93448DTXCID70154286642-644-0LDSIOPGMLLPSSR-UHFFFAOYSA-N825-41-2MFCD00085922
Show more names
'3-Chloro-4-Nitroaniline'3-Chloro-4-nitroaniline,95%3-Chloro-4-nitroaniline,97%4-Amino-2-chloronitrobenzene2-Chloro-4-aminonitrobenzeneGentamycin Sulfate Impurity 21(3-chloro-4-nitro-phenyl)amine3-CHLORO-4-NITROANILINE ISO 9001：2015 REACH
NSC399664-Nitro-3-chloranilin3-chloro-4-nitro-aniline3-chloro-4-nitro-phenylamineSCHEMBL358948SCHEMBL6811417NSC-39966AKOS005257732
Database identifiers
- CAS
825-41-2- PubChem CID
- 69996
- DTXSID
DTXSID40231795- EC Number
- 642-644-0
- Nikkaji
- J140.781C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Melting point
- 158 °C · 158°C
- Boiling point
- 366.8 · 366.8±22.0 °C(Predicted)
- Density
- 1.494 · 1.494
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- powder to crystal
- pka
- -0.06 · -0.06±0.10(Predicted)
- color
- Light yellow to Brown
- Water Solubility
- Insoluble in water.
- λmax
- 350 nm · 350nm(Dioxane)(lit.)
- InChI
- InChI=1S/C6H5ClN2O2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H,8H2
- InChIKey
- LDSIOPGMLLPSSR-UHFFFAOYSA-N
- SMILES
- C1(N)=CC=C([N+]([O-])=O)C(Cl)=C1
- CAS DataBase Reference
- 825 · 825-41-2(CAS DataBase Reference)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
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
H300+H310+H330 (25%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H300 (12.5%): Fatal if swallowed [Danger Acute toxicity, oral]；H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H310 (12.5%): Fatal in contact with skin [Danger Acute toxicity, dermal]；H311 (75%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (62.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H330 (12.5%): Fatal if inhaled [Danger Acute toxicity, inhalation]；H331 (25%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H373 (37.5%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]；H411 (25%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]；H412 (12.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]；H413 (12.5%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 5 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
Chemistry & industry
Applications
Uses3-Chloro-4-nitroaniline is used as a pharmaceutical and medical intermediate.
Suppliers100 total
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
常州市阿尔捷化工商贸有限公司13813686894 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [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]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
韶远科技（上海）有限公司
Related reactions
14 records
Compound notes
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