4-Iodo-o-toluidine

HCID 83221CAS 13194-68-8
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(I)ccc1N
InChIKey
BGKLFAQCHHCZRZ-UHFFFAOYSA-N
Molecular formula
C7H8IN
Average molar mass
233.05 g/mol
Monoisotopic mass
232.97015

Names & identifiers

Preferred name
4-Iodo-o-toluidine
IUPAC
4-iodo-2-methylaniline
English name
4-Iodo-2-methylaniline
Molecular formula
C7H8IN
Molecular weight
233.05

Names & synonyms

4-Iodo-2-methylaniline13194-68-84-iodo-2-methylbenzenamine4-Iodo-o-toluidineEINECS 236-154-2DTXSID50157270NSC 60731RefChem:524233DTXCID5079761236-154-2InChI=1/C7H8IN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H2-Amino-5-iodotoluene
Show more names
AURORA 11264-Iodo-2-methyLBUTTPARK 24\04-61AKOS BBS-000079534-iodo-2-methylanil4-Iodo-2-MethylalinineAniline, 4-iodo-2-methyl-
Benzenamine, 4-iodo-2-methyl-2-methyl-4-iodoanilineMFCD000252994-iodo-2-methylphenylamineNSC-60731EN300-17571(4-iodo-2-methylphenyl)amine4-iodo-2-methyl-aniline

Database identifiers

CAS
13194-68-8
PubChem CID
83221
DTXSID
DTXSID50157270
UNII
A5H7S58H7W
EC Number
236-154-2
Nikkaji
J213.740B

Properties

Computed structural properties

XLogP
2
Topological polar surface area
26 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
9

Physicochemical properties

Melting point
86 · 86-89 °C (lit.)
Boiling point
278.4 · 278.4±28.0 °C(Predicted)
Density
1.791 · 1.791±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
soluble in Methanol
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (98.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (96.6%): 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 58 reports by companies from 6 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 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (98.3%)；Eye Irrit. 2 (98.3%)；Acute Tox. 4 (100%)；STOT SE 3 (96.6%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
ridadr
2811
hs_code
29214300
risk_code
20/21/22-36/37/38
Signal word
Warning

Chemistry & industry

Applications

Uses4-IODO-2-METHYLANILINE serves as a starting material for synthesizing 2,8-difluoro-4,10-dimethyl-6H,12H-5,11-methanodibenzo[b,f]diazocine via reaction with paraformaldehyde, and is employed in various other synthetic routes[3][4].

Upstream & downstream products

Suppliers50 total

阜新奥瑞凯精细化工有限公司0418-5113999 18740177324 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]

Related reactions

39 records
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Linked notes

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