塞来昔布

Name: 塞来昔布
Brand: 济南圣和化工有限公司

CAS 169590-42-5C17H14F3N3O2SMW 381.4

塞来昔布，CAS 登记号 169590-42-5，由济南圣和化工有限公司现货供应，可提供纯度按批次COA提供(不公开发布) 的规格，下游主要用于医药中间体及原料药。支持样品与小批量试用，批量价格请联系我们获取，验收以批次 COA 为准。

规格参数

CAS号169590-42-5

分子式C17H14F3N3O2S

分子量381.4

熔点157-159

沸点529.0±60.0

LogP3.53

纯度按批次COA提供(不公开发布)

包装按订单/批次确认(不公开发布)

应用领域医药中间体及原料药

类别医药中间体及原料药

用途与场景

医药中间体及原料药

包装与供货

包装规格按订单/批次确认(不公开发布)

纯度规格按批次COA提供(不公开发布)

储存条件密封、阴凉干燥处保存

供货周期现货/按订单安排

文件与支持

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主要涉及医药中间体及原料药。

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PubChem 公开数据

Description

Celecoxib · CAS 169590-42-5 · C17H14F3N3O2S. UNII JCX84Q7J1L. Boiling Point: 529.0±60.0; Melting Point: 157-159; Melting Point: 157-159 °C.

Identification

CAS Registry Number	169590-42-5
PubChem CID	2662
Molecular formula	C17H14F3N3O2S
IUPAC name	4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
UNII (FDA)	JCX84Q7J1L

Computed Descriptors

Molecular Weight	381.4
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	381.07588236
Monoisotopic Mass	381.07588236
Topological Polar Surface Area	86.4
Heavy Atom Count	26
Formal Charge	0

Physical & Chemical Properties

Boiling Point	529.0±60.0
Melting Point	157-159
Melting Point	157-159 °C
Melting Point	101.7 - 103.9 °C
LogP	3.53
LogP	3.42
Dissociation Constants	11.1

Physical description & handling notes

Solid
Pale yellow solid
Poorly soluble
Stable under recommended storage conditions.
Hazardous decomposition products formed under fire conditions: Carbon oxides, Nitrogen oxides (NOx), Sulfur oxides, Hydrogen fluoride.
pKa = 11.1 (sulfonamide moiety)

GHS Hazard Classification

Reported hazard statements	H317 (11.9%), H319 (12.6%), H360 (82.4%), H401, H411

H317 (11.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]

H319 (12.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Documented Uses

Use (kg; approx.) in Germany (2009): >5000
Use (kg; exact) in Germany (2009): 5262
Consumption (g per capita; approx.) in Germany (2009): 0.0611
Consumption (g per capita; exact) in Germany (2009): 0.0643
Consumption (g per capita) in the USA (2002): 0.557
For relief and management of osteoarthritis (OA), rheumatoid arthritis (RA), juvenile rheumatoid arthritis (JRA), ankylosing spondylitis, acute pain, primary dysmenorrhea and oral adjunct to usual care for patients with familial adenomatous polyposis

Synonyms

celecoxib; 169590-42-5; Celebrex; Celebra; Onsenal; 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE; 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide; SC-58635; 184007-95-2; YM 177; p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide; Celecoxibum; DTXSID0022777; SC58635; DFN15; JCX84Q7J1L

Frequently Asked Questions

What are the CAS number and molecular formula of Celecoxib?

CAS 169590-42-5; molecular formula C17H14F3N3O2S; molecular weight — g/mol.

What other names is Celecoxib known by?

celecoxib, 169590-42-5, Celebrex, Celebra, Onsenal, 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE.

Is Celecoxib classified as hazardous?

Hazard statements reported: H317, H319, H360, H401, H411.

What are the key physical properties of Celecoxib?

Boiling Point: 529.0±60.0; Melting Point: 157-159; Melting Point: 157-159 °C; Melting Point: 101.7 - 103.9 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.

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