Basic information
- CAS
2104-09-8- Standard SMILES
Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1- InChIKey
RIKJWJIWXCUKQV-UHFFFAOYSA-N- Molecular formula
- C9H7N3O2S
- Average molar mass
- 221.24 g/mol
- Monoisotopic mass
- 221.02589746
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-Amino-4-(p-nitrophenyl)thiazole
- IUPAC
- 4-(4-nitrophenyl)-1,3-thiazol-2-amine
- English name
- 4-(4-Nitro-phenyl)-thiazol-2-ylamine
- Molecular formula
- C9H7N3O2S
- Molecular weight
- 221.24
Names & synonyms
2104-09-82-Amino-4-(4-nitrophenyl)thiazole4-(4-Nitrophenyl)-2-thiazolamine2-Thiazolamine, 4-(4-nitrophenyl)-2-Amino-4-(p-nitrophenyl)thiazoleDTXSID9039238V5F5REB7MTDTXCID60652-amino-4-(para-nitrophenyl)thiazoleRefChem:4641702-ANPT4-(4-Nitrophenyl)-1,3-thiazol-2-amine
Show more names
AKOS BC-0557AURORA KA-7899AKOS BBS-000006054-(p-Nitrophenyl)thiazol-2-amine4-(4-Nitrophenyl)-2-thiazoleamine4-(4-Nitrophenyl)thiazole-2-amine2-amino-4-(p-nitrophenyl)-thiazol
4-(4-nitrophenyl)thiazol-2-amine4-(4-Nitrophenyl)thiazol-2-ylamineMFCD00170222THIAZOLE, 2-AMINO-4-(p-NITROPHENYL)-4-(4-Nitro-phenyl)-thiazol-2-ylamine2-Amino-4-(4-nitrophenyl)-1,3-thiazole4-(4-nitrophenyl)-1,3-thiazole-2-ylamine2-amino-4-{4-nitrophenyl}-1,3-thiazole
Database identifiers
- CAS
2104-09-8
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Melting point
- 283 · 283-287 °C
- Boiling point
- 231 °C · 231°C (rough estimate)
- Density
- 1.4086 · 1.4086 (rough estimate)
- refractive index
- 1.674 · 1.6740 (estimate)
- storage temp.
- 2 · 2-8°C, protect from light, stored under nitrogen
- pka
- 3.26 · 3.26±0.10(Predicted)
- form
- solid
- Appearance
- Light yellow to yellow Solid
- InChI
- 1S/C9H7N3O2S/c10-9-11-8(5-15-9)6-1-3-7(4-2-6)12(13)14/h1-5H,(H2,10,11)
- InChIKey
- RIKJWJIWXCUKQV-UHFFFAOYSA-N
- SMILES
- Nc1nc(cs1)-c2ccc(cc2)[N+]([O-])=O
- CAS DataBase Reference
- 2104 · 2104-09-8(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 F5REB7MT · V5F5REB7MT
- UNSPSC Code
- 12352100 · 12352100
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 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- rtecs
- XJ2860000
- hs_code
- 2934100090
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Applications
Uses4-(4-Nitrophenyl)-1,3-thiazol-2-amine is a useful reagent in the preparation of 2-aminothiazole derivatives with biological properties.
Suppliers42 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
安徽合诺生物科技有限公司0555-2761852
西安美科生物科技有限公司029-18710438009 18710438009 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
安徽合诺生物科技有限公司18455579438
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
杭州东帆化学有限公司86-0571-85151182
韶关市启程生物科技有限公司18122215013 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
Related reactions
11 records
Compound notes
Loading…