Basic information
- CAS
59483-54-4- Standard SMILES
Nc1cccc(Cl)c1[N+](=O)[O-]- InChIKey
YADOEPHJIBKBCN-UHFFFAOYSA-N- Molecular formula
- C6H5ClN2O2
- Average molar mass
- 172.57 g/mol
- Monoisotopic mass
- 172.0039551
Names & identifiers
- Preferred name
- 3-Chloro-2-nitroaniline
- IUPAC
- 3-chloro-2-nitroaniline
- English name
- 3-Chloro-2-nitroaniline
- Molecular formula
- C6H5ClN2O2
- Molecular weight
- 172.57
Names & synonyms
3-Chloro-2-nitroaniline59483-54-4EINECS 261-782-9DTXSID80208183RefChem:499815DTXCID00130674261-782-9MFCD013178033-chloro-2-nitro-aniline3-chloro-2-nitro-phenylamine3-chloro-2-nitrophenylaminesalzsaure Nitroanilin
Show more names
TIMTEC-BB SBB0086172-Nitro-3-chloroaniline3-Chloro-2-nitroaniline 98%2-Amino-6-chloronitrobenzene3-Chloro-2-nitroaniline, 95+%Benzenamine, 3-chloro-2-nitro-3-Chloro-2-nitroaniline, CAS 59483-54-43-Chloro-2-nitroaniline ISO 9001：2015 REACH
3-Chloro 2-nitroaniline3-Chloro-2-nitro anilineSCHEMBL203912SCHEMBL8002511SBB008617AKOS005259837AC-3731CS-W004730
Database identifiers
- CAS
59483-54-4- PubChem CID
- 101068
- DTXSID
DTXSID80208183- EC Number
- 261-782-9
- Nikkaji
- J140.780E
Properties
Computed structural properties
- XLogP
- 2.2
- 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
- 107 · 107-108°C
- Boiling point
- 327.1 · 327.1±22.0 °C(Predicted)
- Density
- 1.494 · 1.494±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- -1.29 · -1.29±0.10(Predicted)
- Appearance
- Orange to red Solid
- InChI
- InChI=1S/C6H5ClN2O2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H,8H2
- InChIKey
- YADOEPHJIBKBCN-UHFFFAOYSA-N
- SMILES
- C1(N)=CC=CC(Cl)=C1[N+]([O-])=O
- CAS DataBase Reference
- 59483 · 59483-54-4(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 280 · P280
- Risk Statements
- 20 · 20/21/22-36/37/38
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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. 3 (50%)；Acute Tox. 3 (50%)
Safety data
- ridadr
- UN 2237 (CHLORONITROANILINES)
- hs_code
- 2921420090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302+H312+H332-H315-H319-H335
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
苏州道澜生物医药科技有限公司15952404857 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
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]
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
Related reactions
47 records
Compound notes
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