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540-23-8 molecular structure
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4-methylaniline hydrochloride

ChemBase ID: 110250
Molecular Formular: C7H10ClN
Molecular Mass: 143.614
Monoisotopic Mass: 143.05017701
SMILES and InChIs

SMILES:
Cl.Cc1ccc(N)cc1
Canonical SMILES:
Cc1ccc(cc1)N.Cl
InChI:
InChI=1S/C7H9N.ClH/c1-6-2-4-7(8)5-3-6;/h2-5H,8H2,1H3;1H
InChIKey:
JQKBUTDZZRGQDR-UHFFFAOYSA-N

Cite this record

CBID:110250 http://www.chembase.cn/molecule-110250.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methylaniline hydrochloride
IUPAC Traditional name
P-toluidine hydrochloride
Synonyms
p-TOLUIDINE HYDROCHLORIDE
4-Methylaniline hydrochloride
p-Toluidine hydrochloride
4-甲基苯胺 盐酸盐
对甲苯胺 盐酸盐
CAS Number
540-23-8
EC Number
208-740-8
MDL Number
MFCD00035497
Beilstein Number
3557540
PubChem SID
24889246
24859858
162095592
PubChem CID
10891

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5426136  LogD (pH = 7.4) 1.6560819 
Log P 1.6577413  Molar Refractivity 35.7996 cm3
Polarizability 13.262377 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
243-245 °C(lit.) expand Show data source
243-245°C expand Show data source
RTECS
XU7525000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
23/24/25-36-40-43-50 expand Show data source
R:22 expand Show data source
Safety Statements
28-36/37-45-61 expand Show data source
S:36/37/39 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H311-H317-H319-H331-H351-H400 expand Show data source
GHS Precautionary statements
P261-P273-P280-P301 + P310-P305 + P351 + P338-P311 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
Purity
≥99.0% (AT) expand Show data source
95+% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
CH3C6H4NH2 · HCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05214248 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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