2-Iodo-5-methylaniline
Basic information
- CAS
13194-69-9- Standard SMILES
Cc1ccc(I)c(N)c1- InChIKey
KXPBTNCFONSVIA-UHFFFAOYSA-N- Molecular formula
- C7H8IN
- Average molar mass
- 233.05 g/mol
- Monoisotopic mass
- 232.97015
Names & identifiers
- Preferred name
- 2-Iodo-5-methylaniline
- IUPAC
- 2-iodo-5-methylaniline
- English name
- 2-Iodo-5-methylaniline
- Molecular formula
- C7H8IN
- Molecular weight
- 233.05
Names & synonyms
2-Iodo-5-methylaniline13194-69-9DTXSID10371511RefChem:473706DTXCID30322545802-766-9Benzenamine, 2-iodo-5-methyl-MFCD008333953-Amino-4-iodotoluene2-iodo-5-methylphenylamineSCHEMBL792455(2-iodo-5-methylphenyl)amine
Show more names
3-IODO-5-METHYLANILINE2-Iodo-5-methylbenzenamine2-Iodo-5-methylaniline, 97%BenzenaMine,2-iodo-5-Methyl-2-IODO-5-METHYLANILINE ISO 9001：2015 REACH
CL8399CS-W004939AC-3698EN300-2100802-iodo-5-methyl-aniline6-Iodo-m-toluidine2-Jod- 5-ToluidinA2781
Database identifiers
- CAS
13194-69-9- PubChem CID
- 2736659
- DTXSID
DTXSID10371511- EC Number
- 802-766-9
- Nikkaji
- J2.915.127J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 94.9
Physicochemical properties
- Melting point
- 37 · 37-39
- Boiling point
- 266.5 · 266.5±28.0 °C(Predicted)
- Density
- 1.791 · 1.791±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- powder to crystal
- pka
- 2.66 · 2.66±0.10(Predicted)
- color
- Light yellow to Brown to Dark green
- CAS DataBase Reference
- 13194 · 13194-69-9(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05,GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H411-H318
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P280-P305+P351+P338-P310
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2921420090 · 2921420090
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
H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P316, P305+P354+P338, P317, P321, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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. 3 (97.5%)
Safety data
- hs_code
- 2921420090
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS09,GHS06
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H301-H411-H318
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P280-P305+P351+P338-P310
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
2 records
Compound notes
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