Basic information
- CAS
123333-74-4- Standard SMILES
CO/N=C(\C(=O)O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1.Cl- InChIKey
WUGYSHABNSMIRY-BKHQUBCMSA-N- Molecular formula
- C25H22ClN3O3S
- Average molar mass
- 480 g/mol
Names & identifiers
- Preferred name
- 2-(Tritylamino)-alpha-(methoxyimino)-4-thiazoleacetic acid, predominantly syn hydrochloride
- IUPAC
- (2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid;hydrochloride
- English name
- 2-(TRITYLAMINO)-ALPHA-(METHOXYIMINO)-4-THIAZOLEACETIC ACID HYDROCHLORIDE
- Molecular formula
- C25H21N3O3S.ClH
- Molecular weight
- 479.98
Names & synonyms
123333-74-4RefChem:4626472-(Tritylamino)-alpha-(methoxyimino)-4-thiazoleacetic acid, predominantly syn hydrochloride620-843-3131004-28-92-(Tritylamino)-alpha-(methoxyimino)-4-thiazoleacetic acid hydrochloride(2Z)-2-Methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid;hydrochlorideMFCD00012710C25H22ClN3O3SSCHEMBL7776981SBB057318AKOS005256943
Show more names
2-(TRITYLAMINO)-ALPHA-(MEO-IMINO)-4-THI&2-(tritylaminomethoxyimino)-4-thiazoleacetic acid HClTRITYLAMINO-ALPHA-(METHOXYIMINO)-4-THIAZOLEACETIC ACID2-(TRITYLAMINO)-ALPHA-(METHOXYIMINO)-4-THIAZOLEACETICACIDHCL2-(TRITYLAMINO)-A-(METHOXYIMINO)-4-THIAZOLEACETIC ACID HYDROCHLORIDE(2Z)-2-methoxyimino-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]acetate2-(Tritylamino)-α-(methoxyimino)-4-thiazoleacetic acid hydrochloride2-(2-TRITYLAMINOTHIAZOLE-4-YL)-2-METHOXYIMINOACETIC ACID HYDROCHLORIDE
Properties
Computed structural properties
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 595
Physicochemical properties
- Melting point
- 170 °C · 170 °C
- Density
- 1.173 · 1.1730 (rough estimate)
- refractive index
- 1.61 · 1.6100 (estimate)
- CAS DataBase Reference
- 123333 · 123333-74-4
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- HS Code
- 29341000 · 29341000
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 29341000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers8 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [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]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
天津安浩生物科技有限公司[email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
11 records
Compound notes
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