Basic information
- CAS
777-12-8- Standard SMILES
Nc1nc2ccc(C(F)(F)F)cc2s1- InChIKey
WEDYEBJLWMPPOK-UHFFFAOYSA-N- Molecular formula
- C8H5F3N2S
- Average molar mass
- 218.2 g/mol
- Monoisotopic mass
- 218.01255382
Names & identifiers
- Preferred name
- 2-Amino-6-(trifluoromethyl)benzothiazole
- IUPAC
- 6-(trifluoromethyl)-1,3-benzothiazol-2-amine
- English name
- 2-Amino-6-(trifluoromethyl)benzothiazole
- Molecular formula
- C8H5F3N2S
- Molecular weight
- 218.2
Names & synonyms
2-Amino-6-(trifluoromethyl)benzothiazoleRefChem:464701625-369-0777-12-86-(trifluoromethyl)benzo[d]thiazol-2-amine6-(trifluoromethyl)-1,3-benzothiazol-2-amine2-amino-6-(trifluoromethyl)-1,3-benzothiazoleMFCD002695972-amino-6-trifluoromethylbenzothiazole2-Amino-6-(trifluoromethyl)-1,3-benzothiazolCHEMBL4423846-(trifluoromethyl)benzothiazole-2-ylamine
Show more names
BUTTPARK 13\02-106-trifluoroMethyl-2-aMinobenzothiazole2-Amino-6-(trifluoromethyl)benzothiazole >2-Amino-6-(trifluoromethyl)benzothiazole 96%
2-BENZOTHIAZOLAMINE, 6-(TRIFLUOROMETHYL)-6-Trifluoromethyl-benzothiazol-2-ylamine3wk8SCHEMBL1417399DTXSID403710442-amino-6-trifluoromethylbenzthiazole6-trifluoromethyl-2-benzothiazolamineBDBM50002341
Database identifiers
- CAS
777-12-8- PubChem CID
- 2735955
- DTXSID
DTXSID40371044- ChEMBL
CHEMBL442384- EC Number
- 625-369-0
- Nikkaji
- J520.031H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Melting point
- 120 · 120-124 °C
- Boiling point
- 306.7 · 306.7±52.0 °C(Predicted)
- Density
- 1.536 · 1.536±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 2.52 · 2.52±0.10(Predicted)
- color
- Light orange to Yellow to Green
- Sensitive
- Stench
- InChI
- InChI=1S/C8H5F3N2S/c9-8(10,11)4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)
- InChIKey
- WEDYEBJLWMPPOK-UHFFFAOYSA-N
- SMILES
- S1C2=CC(C(F)(F)F)=CC=C2N=C1N
- CAS DataBase Reference
- 777 · 777-12-8(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 300 · H300-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P310-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- Hazard Codes
- Xi,T
- Risk Statements
- 36 · 36/37/38-25
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 3 · 3
- HazardClass
- 6.1 · 6.1
- PackingGroup
- Ⅲ
- HS Code
- 29342000 · 29342000
- Storage Class
- 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- 2 OralEye · Acute Tox. 2 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H300 (84.8%): Fatal 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 2 (84.8%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29342000
- risk_code
- 36/37/38-25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi,T
- safety_code
- 26-36/37/39-45
- hazard_class
- 6.1
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- Ⅲ
- target organs
- Respiratory system
- Hazard statements
- H300-H315-H319-H335
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 2 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P310-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
南京翔睿科技有限公司021-021-00000000 15715199582
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
镇江迪艾生物科技有限公司18912101619
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
INTATRADE GmbH+49 3493/605464 · [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]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
扬州思域化工有限公司0514-87325867 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
杭州东帆化学有限公司86-0571-85151182
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
常州宣叶科技有限公司15195022192 · [email protected]
常州市辰悦化工科技有限公司+86-0519-85500896 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
凯方医药科技（上海）有限公司021-67220633 021-54824098 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海毓川医药科技有限公司02161555100
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
常州言己生物科技有限公司0519-83556355 18015005120 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
盐城希曼生物科技有限公司0515-88280676; 18921872653
九鼎化学（上海）科技有限公司4009209199 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
南京普鑫医药科技有限公司17366295326 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
上海辰烛医药科技有限公司13162380607 · [email protected]
上海再启生物技术有限公司021-54824098, 021-37212705 021-37212706, 13391256916 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
Related reactions
16 records
Compound notes
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