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Basic information
- CAS
23050-91-1- Standard SMILES
CN(C)c1ccc(C(=O)O)c(O)c1- InChIKey
SJIDPEUJSIWFAE-UHFFFAOYSA-N- Molecular formula
- C9H11NO3
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.07389321
Names & identifiers
- Preferred name
- 4-(Dimethylamino)salicylic acid
- IUPAC
- 4-(dimethylamino)-2-hydroxybenzoic acid
- English name
- 4-Dimethylaminosalicylic acid
- Molecular formula
- C9H11NO3
- Molecular weight
- 181.19
Names & synonyms
4-(Dimethylamino)-2-hydroxybenzoic acid23050-91-14-(Dimethylamino)salicylic acidEINECS 245-398-9DTXSID30177618RefChem:515995DTXCID90100109245-398-9Benzoic acid, 4-(dimethylamino)-2-hydroxy-4-DIMETHYLAMINOSALICYLIC ACIDMFCD000202624-(dimethylamino)-2-hydroxybenzenecarboxylic acid
Show more names
Benzoic acid, 4-?(dimethylamino)?-?2-?hydroxy-
4-Dimethylamino salicylic acid4-(Dimethylamino)-2-hydroxybenzoicacidS3JHD5WP53Oprea1_446441SCHEMBL729586p-N,N-dimethylaminosalicylic acidSalicylic acid, 4-(dimethylamino)-AKOS006273186
Database identifiers
- CAS
23050-91-1- PubChem CID
- 89978
- DTXSID
DTXSID30177618- UNII
- S3JHD5WP53
- EC Number
- 245-398-9
- Nikkaji
- J318.389K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Melting point
- 129 °C · 129 °C (decomp)(Solv: methanol (67-56-1))
- Boiling point
- 368.4 · 368.4±32.0 °C(Predicted)
- Density
- 1.309 · 1.309±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 13.15 · 13.15±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H303-H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501
Chemistry & industry
Suppliers18 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海科斯克尔医药科技有限公司00000000 15021108835 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
山东博洛达生物科技有限公司0531-68651502 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
盐城康迪森医药科技有限公司13812573443;18052965989 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海吉至生化科技有限公司
Related reactions
2 records
Compound notes
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