Basic information
- CAS
3102-70-3- Standard SMILES
Cc1cc(C)c(N)c(C)c1N- InChIKey
ZVDSMYGTJDFNHN-UHFFFAOYSA-N- Molecular formula
- C9H14N2
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.11569846
Names & identifiers
- Preferred name
- 2,4-Diaminomesitylene
- IUPAC
- 2,4,6-trimethylbenzene-1,3-diamine
- English name
- 2,4,6-Trimethyl-1,3-phenylenediamine
- Molecular formula
- C9H14N2
- Molecular weight
- 150.22
Names & synonyms
3102-70-32,4-Diaminomesitylene2,4,6-Trimethylbenzene-1,3-diamine2,4,6-Trimethyl-1,3-phenylenediamine2,4,6-Trimethyl-m-phenylenediamine1,3-Benzenediamine, 2,4,6-trimethyl-2,4-Mesitylenediamine2,4,6-Trimethyl-1,3-benzenediamineCCRIS 6520EINECS 221-456-91,3-diamino-2,4,6-trimethylbenzeneBRN 2717221
Show more names
3MPDAMesDA-m-phenyLMesitylene-2,4-diamine2,4-Mesitylenediamine (7CI,8CI)2,4,6-Trimethyl-3-amino-aniline2,4,6-trimethyl-3-benzenediamine
9K3JRF5932NSC-10392DTXSID401849943-13-00-00343 (Beilstein Handbook Reference)NSC 103921,3,5-TRIMETHYL-2,6-BENZENEDIAMINERefChem:443186DTXCID80107485
Database identifiers
- CAS
3102-70-3- PubChem CID
- 76547
- DTXSID
DTXSID40184994- ChEMBL
CHEMBL1998053- UNII
- 9K3JRF5932
- EC Number
- 221-456-9
- Nikkaji
- J43.148F
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Melting point
- 89 · 89-91 °C(lit.)
- Boiling point
- 297.7 · 297.7±35.0 °C(Predicted)
- Density
- 1.051 · 1.051±0.06 g/cm3(Predicted)
- vapor pressure
- 0.009 Pa · 0.009Pa at 20℃
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 5.03 · 5.03±0.10(Predicted)
- form
- Solid
- color
- Brown
- Water Solubility
- 22.7 g/L · 22.7g/L at 20℃
- BRN
- 2717221 · 2717221
- InChI
- 1S/C9H14N2/c1-5-4-6(2)9(11)7(3)8(5)10/h4H,10-11H2,1-3H3
- InChIKey
- ZVDSMYGTJDFNHN-UHFFFAOYSA-N
- SMILES
- Cc1cc(C)c(N)c(C)c1N
- LogP
- 0.41 at · 0.41 at 24.2℃
- CAS DataBase Reference
- 3102 · 3102-70-3(CAS DataBase Reference)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 2,4,6-trimethylbenzene-1,3-diamine (EC: 221-456-9)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- F
- 8-9-23
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- CZ1607000
- ridadr
- 2811
- hs_code
- 2921599090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- hazard_class
- 6.1(a)
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses2,4,6-Trimethyl-1,3-benzenediamine is a compound used in the synthesis of various polymers.
Uses2,4,6-Trimethyl-1,3-phenylenediamine is a compound used in the synthesis of various polymers.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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