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2,4-Dichloro-6-methylbenzylamine

HCID 2800971
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Basic information

CAS
150517-76-3
Standard SMILES
Cc1cc(Cl)cc(Cl)c1CN
InChIKey
QISTWSMZJRTDCS-UHFFFAOYSA-N
Molecular formula
C8H9Cl2N
Average molar mass
190.07 g/mol
Monoisotopic mass
189.01120465

Names & identifiers

Preferred name
2,4-Dichloro-6-methylbenzylamine
IUPAC
(2,4-dichloro-6-methylphenyl)methanamine
English name
2,4-DICHLORO-6-METHYLBENZYLAMINE
Molecular formula
C8H9Cl2N
Molecular weight
190.07

Names & synonyms

2,4-dichloro-6-methylbenzylamine150517-76-3(2,4-dichloro-6-methylphenyl)methanamineBenzenemethanamine, 2,4-dichloro-6-methyl-(2,4-dichloro-6-methylbenzyl)amine hydrochloride1-(2,4-DICHLORO-6-METHYLPHENYL)METHANAMINE(2,4-dichloro-6-methylphenyl)methylamine1-(2,4-dichloro-6-methylphenyl)methanamine hydrochloride4,6-Dichloro-2-methylbenzylamineMFCD00052913(2,4-dichloro-6-methyl-phenyl)methanamineSCHEMBL110348
Show more names
RARECHEM AL BW 14202,4-DICHLORO-6-METHYLBENZYLAMINE, 98+%2,4-Dichloro-6-methylbenzylamine, tech2,4-Dichloro-6-methylbenzenemethanamine(2,4-Dichloro-6-methylphenyl)methylamine, 2-(Aminomethyl)-3,5-dichlorotoluene
SCHEMBL6151899DTXSID10384202QISTWSMZJRTDCS-UHFFFAOYSA-NALBB-024953SBB072387AKOS006228760AS-65626BP-13186

Database identifiers

CAS
150517-76-3
PubChem CID
2800971
DTXSID
DTXSID10384202
EC Number
679-088-3

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
26 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
11
Formal charge
0
Complexity
129

Physicochemical properties

Melting point
47 °C · 47 °C
Boiling point
278.6 · 278.6±35.0 °C(Predicted)
Density
1.27 · 1.270±0.06 g/cm3(Predicted)
pka
8.49 · 8.49±0.10(Predicted)
Sensitive
Air Sensitive
BRN
8615227 · 8615227
CAS DataBase Reference
150517 · 150517-76-3
Symbol(GHS)
5 · GHS05
Signal word
Danger
Hazard statements
314 · H314-H318
Precautionary statements
260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Risk Statements
34 · 34
Safety Statements
26 · 26-36/37/39-45
RIDADR
3259 · 3259
HazardClass
8 · 8
PackingGroup
III

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 · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.

Safety data

ridadr
3259
hs_code
2921490090
risk_code
34
Signal word
Danger
Symbol(GHS)
GHS05
safety_code
26-36/37/39-45
hazard_class
8
packing_group
III
Hazard statements
H314-H318
Precautionary statements
P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a

Suppliers

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Related reactions

3 records
New reaction record
HRID 141513 reaction equation
HRID 141513As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 918861 reaction equation
HRID 918861As reactantuspto-grants-2016_03
HRID 963451 reaction equation
HRID 963451As reactantuspto-grants-1998_06

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
HS Code
2921490090 · 2921490090