Basic information
- CAS
696-44-6- Standard SMILES
CNc1cccc(C)c1- InChIKey
FBGJJTQNZVNEQU-UHFFFAOYSA-N- Molecular formula
- C8H11N
- Average molar mass
- 121.18 g/mol
- Monoisotopic mass
- 121.08914935
Names & identifiers
- Preferred name
- Benzenamine, N,3-dimethyl-
- IUPAC
- N,3-dimethylaniline
- English name
- 3-(Methylamino)toluene
- Molecular formula
- C8H11N
- Molecular weight
- 121.18
Names & synonyms
N,3-Dimethylaniline696-44-6N-Methyl-m-toluidineBenzenamine, N,3-dimethyl-m,N-Dimethylanilinem-Toluidine, N-methyl-N-Methyl-3-methylanilineN-3-DimethylbenzenamineAniline, N,m-dimethyl-NSC 9396EINECS 211-795-0DTXSID2061014
Show more names
N-Methyl-m-methylanilineN-methyl-m-toluene3,N-DimethylanilineN-METHYL-3-TOLUIDINE3-(Methylamino)tolueTolnaflate IMpurity D
RefChem:561927m-Toluidine, N-methyl-(8CI)DTXCID8046531211-795-03-(Methylamino)tolueneN,3-Dimethylaniline-d3Tolnaftate EP Impurity D1097898-06-0
Database identifiers
- CAS
696-44-6- PubChem CID
- 69675
- DTXSID
DTXSID2061014- EC Number
- 211-795-0
- Nikkaji
- J2.107E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 80.6
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- -10.08 °C · -10.08°C (estimate)
- Boiling point
- 204 · 204-206 °C5 mm Hg(lit.)
- Density
- 0.957 g/mL · 0.957 g/mL at 25 °C(lit.)
- vapor pressure
- 23.3 · 23.3-203Pa at 20-50℃
- refractive index
- 20 · n20/D 1.5560(lit.)
- Flash point
- 194 °F · 194 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- clear liquid
- pka
- 5 · 5.00±0.25(Predicted)
- color
- Light orange to Yellow to Green
- Water Solubility
- INSOLUBLE
- InChI
- 1S/C8H11N/c1-7-4-3-5-8(6-7)9-2/h3-6,9H,1-2H3
- InChIKey
- FBGJJTQNZVNEQU-UHFFFAOYSA-N
- SMILES
- CNc1cccc(C)c1
- CAS DataBase Reference
- 696 · 696-44-6(CAS DataBase Reference)
- NIST Chemistry Reference
- 3 · Benzenamine, N,3-dimethyl-(696-44-6)
- EPA Substance Registry System
- 3 · Benzenamine, N,3-dimethyl- (696-44-6)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331-H373-H412
- Precautionary statements
- 273 · P273-P280-P301+P310+P330-P302+P352+P312-P304+P340+P311-P314
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- T
- Risk Statements
- 23 · 23/24/25-33-52/53
- Safety Statements
- 28 · 28-36/37-45-61-28A
- RIDADR
- 2810 · UN 2810 6.1/PG 3
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1(a)
- PackingGroup
- II
- HS Code
- 29214300 · 29214300
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 3STOT RE 2
- REACH Registrations
- Active
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
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationStatus: Active Update: 03-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24888
Hazard Classes and Categories
Acute Tox. 3 (100%)
Acute toxicity - category 3
Acute Tox. 3 *
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2810 6.1/PG 3
- hs_code
- 29214300
- risk_code
- 23/24/25-33-52/53
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- hazard_code
- T
- safety_code
- 28-36/37-45-61-28A
- hazard_class
- 6.1(a)
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- II
- Hazard statements
- H301+H311+H331-H373-H412
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 3STOT RE 2
- Precautionary statements
- P273-P280-P301+P310+P330-P302+P352+P312-P304+P340+P311-P314
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, N,3-dimethyl-: ACTIVE
Applications
UsesTolnaftate (T535400) impurity.
Upstream & downstream products
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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北京东华力拓科技发展有限公司010-88425576 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
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Related reactions
13 records
Compound notes
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