Basic information
- Standard SMILES
Cc1cc(Cl)cc([N+](=O)[O-])c1N- InChIKey
QDSCDFKGUAONPC-UHFFFAOYSA-N- Molecular formula
- C7H7ClN2O2
- Average molar mass
- 186.59 g/mol
- Monoisotopic mass
- 186.01960514
Names & identifiers
- Preferred name
- 4-Chloro-2-methyl-6-nitroaniline
- IUPAC
- 4-chloro-2-methyl-6-nitroaniline
- English name
- 4-Chloro-2-methyl-6-nitroaniline
- Molecular formula
- C7H7ClN2O2
- Molecular weight
- 186.6
Names & synonyms
4-Chloro-2-methyl-6-nitroaniline62790-50-5DTXSID70211868RefChem:98380DTXCID00134359640-942-5QDSCDFKGUAONPC-UHFFFAOYSA-NMFCD01320687Benzenamine, 4-chloro-2-methyl-6-nitro-2-Amino-5-chloro-3-nitrotoluene4-chloro-2-methyl-6-nitrophenylamine2-Amino-5-chloro-3-methylnitrobenzene
Show more names
TIMTEC-BB SBB0036994-CHLORO-6-NITRO-O-TOLUIDINE2-Nitro-4-Chloro-6-Methylaniline4-chloro-2-nitro-6-methylaniline4-Chloro-2-methyl-6-nitroaniline 98%4-Chloro-2-methyl-6-nitroaniline,97%4-CHLORO-2-METHYL-6-NITRO-PHENYLAMINE2-Amino-5-chloro-3-nitrotoluene, 2-Amino-5-chloro-3-methylnitrobenzene
SCHEMBL203555CL8442AMY23993GEO-00SCHEMBL279865584-chloro-2-methyl-6-nitro-anilineALBB-003906GEO-00719
Database identifiers
- CAS
62790-50-5- PubChem CID
- 182355
- DTXSID
DTXSID70211868- EC Number
- 640-942-5
- Nikkaji
- J600.099A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 126 · 126-132 °C
- Boiling point
- 328.7 · 328.7±37.0 °C(Predicted)
- Density
- 1.48 · 1.4800 (rough estimate)
- refractive index
- 1.556 · 1.5560 (estimate)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- -1.18 · -1.18±0.25(Predicted)
- form
- Crystals or Needles
- color
- Orange
- InChI
- InChI=1S/C7H7ClN2O2/c1-4-2-5(8)3-6(7(4)9)10(11)12/h2-3H,9H2,1H3
- InChIKey
- QDSCDFKGUAONPC-UHFFFAOYSA-N
- SMILES
- C1(N)=C([N+]([O-])=O)C=C(Cl)C=C1C
- CAS DataBase Reference
- 62790 · 62790-50-5(CAS DataBase Reference)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Warning
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 37 · 37/39-26
- RIDADR
- 2811 · 2811
- HazardClass
- IRRITANT
- HS Code
- 29214200 · 29214200
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- ridadr
- 2811
- hs_code
- 29214200
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS06
- hazard_code
- Xi
- safety_code
- 37/39-26
- hazard_class
- IRRITANT
- Hazard statements
- H301-H315-H319-H335
- Precautionary statements
- P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses4-Chloro-2-methyl-6-nitroaniline is used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.
Upstream & downstream products
Downstream products
Suppliers50 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
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徐州睿诚致合生物医药技术有限公司15195955353 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
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Related reactions
2 records
Linked notes
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