Benzenamine, 2,6-dimethyl-, hydrochloride (1:1)
Basic information
- CAS
21436-98-6- Standard SMILES
Cc1cccc(C)c1N.Cl- InChIKey
QNWMFJDRMZWZNN-UHFFFAOYSA-N- Molecular formula
- C8H12ClN
- Average molar mass
- 157.64 g/mol
- Monoisotopic mass
- 157.06582706
Names & identifiers
- Preferred name
- Benzenamine, 2,6-dimethyl-, hydrochloride (1:1)
- IUPAC
- 2,6-dimethylaniline;hydrochloride
- English name
- 2,6-Dimethylaniline hydrochloride
- Molecular formula
- C8H12ClN
- Molecular weight
- 157.64
Names & synonyms
21436-98-62,6-xylidine hydrochloride2,6-Xylidine, hydrochloride695APM3L5YDTXSID80175705BENZENAMINE, 2,6-DIMETHYL-, HYDROCHLORIDE (1:1)RefChem:445874DTXCID4098196244-388-12,6-dimethylaniline;hydrochlorideMFCD000602132,6-Xylidinium chloride
Show more names
CompoundAR0033QUROPIVACAINE RC ACompound AR0033QULidocaine Impurity 50Ropivacaine Impurity A2,6-DimethylanilineHClBupivacaine EP Impurity F
2,6-DIMETHYLANILINE HCLEINECS 244-388-12,6-DIMETHYLANILINEHYDROCHLORIDEUNII-695APM3L5Yorb2695013SCHEMBL28648282,6-Dimethyl aniline hydrochloride2,6-Dimethyl-aniline hydrochloride
Database identifiers
- CAS
21436-98-6- PubChem CID
- 88899
- DTXSID
DTXSID80175705- UNII
- 695APM3L5Y
- EC Number
- 244-388-1
Properties
Computed structural properties
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 80.6
Physicochemical properties
- Melting point
- 275 °C · 275°C
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly, Sonicated)
- form
- powder or crystals
- color
- White to Pale Brown
- Stability
- Hygroscopic
- InChI
- 1S/C8H11N.ClH/c1-6-4-3-5-7(2)8(6)9;/h3-5H,9H2,1-2H3;1H
- InChIKey
- QNWMFJDRMZWZNN-UHFFFAOYSA-N
- SMILES
- [Cl-].[N+H3]c1c(cccc1C)C
- FDA UNII
- 695 APM3L5Y · 695APM3L5Y
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Risk Statements
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- wgk
- WGK 3
- rtecs
- ZF0375000
- hs_code
- 2921490002
- Toxicity
- rat,LD50,oral,2042mg/kg (2042mg/kg),Journal of Pharmacology and Experimental Therapeutics. Vol. 167, Pg. 223, 1969.
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2,6-Dimethylaniline hydrochloride may be used in the preparation of 2,6-dimethylphenyl isocyanate via phosgenation. This product was previously listed as CDS000447.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
3 records
Compound notes
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