Basic information
- Standard SMILES
Nc1nc(-c2ccc(Cl)cc2)cs1- InChIKey
DWGWNNCHJPKZNC-UHFFFAOYSA-N- Molecular formula
- C9H7ClN2S
- Average molar mass
- 210.68 g/mol
- Monoisotopic mass
- 210.0018469
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Amino-4-(4-chlorophenyl)thiazole
- IUPAC
- 4-(4-chlorophenyl)-1,3-thiazol-2-amine
- English name
- 2-Amino-4-(4-chlorophenyl)thiazole
- Molecular formula
- C9H7ClN2S
- Molecular weight
- 210.68
Names & synonyms
2-Amino-4-(4-chlorophenyl)thiazoleRefChem:483719626-038-32103-99-34-(4-chlorophenyl)thiazol-2-amine4-(4-chlorophenyl)-1,3-thiazol-2-amine2-Thiazolamine, 4-(4-chlorophenyl)-MFCD000470584-(4-Chlorophenyl)-2-thiazolamineWFJ6DX9BPJMaybridge1_003566F 1654
Show more names
f1654AURORA 13234AKOS B000490TOSLAB 14871AKOS BBS-00000674BUTTPARK 18\03-88IFLAB-BB F1912-0041TIMTEC-BB SBB000503OTAVA-BB BB7010240509
NSC 372682MLS003171302DTXSID701752342-amino4-(4-chlorophenyl)thiazolep-Chloro phenyl-4 amino-2 thiazoleNSC372682NSC-372682AB02022
Database identifiers
- CAS
2103-99-3- PubChem CID
- 73241
- DTXSID
DTXSID70175234- ChEMBL
CHEMBL1650273- UNII
- WFJ6DX9BPJ
- EC Number
- 626-038-3
- Nikkaji
- J580.613E
Properties
Computed structural properties
- XLogP
- 3.2
- 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
- 171
Experimental & physicochemical properties
LogP3.31
Physicochemical properties
- Melting point
- 169 · 169-171 °C(lit.)
- Boiling point
- 389.8 · 389.8±17.0 °C(Predicted)
- Density
- 1.389 · 1.389±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 3.95 · 3.95±0.10(Predicted)
- form
- Powder
- color
- White to off-white
- λmax
- 232 nm · 232nm(phosphate buffer sol.)(lit.)
- BRN
- 153889 · 153889
- InChI
- 1S/C9H7ClN2S/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)
- InChIKey
- DWGWNNCHJPKZNC-UHFFFAOYSA-N
- SMILES
- Nc1nc(cs1)-c2ccc(Cl)cc2
- LogP
- 3.411 · 3.411 (est)
- CAS DataBase Reference
- 2103 · 2103-99-3(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 DX9BPJ · WFJ6DX9BPJ
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 301 · P301+P310+P330-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-36/37/39
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 1026732 · XJ1026732
- HazardClass
- IRRITANT
- PackingGroup
- III
- HS Code
- 29341000 · 29341000
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralEye · Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (94.6%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 74 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (94.6%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- rtecs
- XJ1026732
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29341000
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi,Xn
- safety_code
- 26-36-36/37/39
- hazard_class
- IRRITANT
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H301-H315-H319-H335
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P301+P310+P330-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-Amino-4-(4-chlorophenyl)thiazole was used in the preparation of 2-chloroacetamido-4-(4-chlorophenyl)thiazole.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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Related reactions
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