Basic information
- CAS
89250-34-0- Standard SMILES
Cc1nc(-c2cccc(N)c2)cs1- InChIKey
CPHZPWZSSBCSAH-UHFFFAOYSA-N- Molecular formula
- C10H10N2S
- Average molar mass
- 190.27 g/mol
- Monoisotopic mass
- 190.05646932
Overview
3-(2-Methyl-1,3-thiazol-4-yl)aniline is a substituted aniline.
Names & identifiers
- Preferred name
- 3-(2-Methyl-thiazol-4-yl)-phenylamine
- IUPAC
- 3-(2-methyl-1,3-thiazol-4-yl)aniline
- English name
- 3-(2-Methyl-1,3-thiazol-4-yl)aniline
- Molecular formula
- C10H10N2S
- Molecular weight
- 190.26
Names & synonyms
3-(2-Methyl-thiazol-4-yl)-phenylamineRefChem:491188692-413-389250-34-03-(2-methyl-1,3-thiazol-4-yl)aniline3-(2-Methylthiazol-4-yl)aniline4-(3-Aminophenyl)-2-methylthiazoleMFCD025798733-(2-methylthiazol-4-yl)benzenamineF0804-15653-(2-methyl-1,3-thiazol-4-yl)phenylamineMLS000102882
Show more names
IFLAB-BB F1912-00113-(2-methyl-4-thiazolyl)aniline2-METHYL-4-(3-AMINOPHENYL)THIAZOLEBenzenamine, 3-(2-methyl-4-thiazolyl)-4-(3-Aminophenyl)-2-methyl-1,3-thiazole
56KOprea1_237956SCHEMBL219238IFLab1_003704orb3031258CHEMBL1412409TIMTEC-BB SBB010132DTXSID40353062
Database identifiers
- CAS
89250-34-0- PubChem CID
- 736535
- DTXSID
DTXSID40353062- ChEMBL
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 102 · 102-106 °C (lit.)
- Boiling point
- 380.6 · 380.6±25.0 °C(Predicted)
- Density
- 1.219 · 1.219±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- Solid
- pka
- 3.71 · 3.71±0.10(Predicted)
- InChI
- 1S/C10H10N2S/c1-7-12-10(6-13-7)8-3-2-4-9(11)5-8/h2-6H,11H2,1H3
- InChIKey
- CPHZPWZSSBCSAH-UHFFFAOYSA-N
- SMILES
- Cc1nc(cs1)-c2cccc(N)c2
- CAS DataBase Reference
- 89250 · 89250-34-0(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary 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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- hs_code
- 2921420090
- risk_code
- 22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Harmful
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Chemistry & industry
Applications
Uses3-(2-Methyl-1,3-thiazol-4-yl)aniline is a useful reagent for preparation of N-aryltrifluoromethanesulfinimide derivatives.
Upstream & downstream products
Downstream products
Suppliers29 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海拓朴医药科技有限公司+86 (21) 5196-9732
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
Related reactions
8 records
Compound notes
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