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Basic information
- CAS
93-21-0- Standard SMILES
O=C(O)CSc1ccc2ccccc2c1- InChIKey
VMZMOCBDKZHRGU-UHFFFAOYSA-N- Molecular formula
- C12H10O2S
- Average molar mass
- 218.27 g/mol
- Monoisotopic mass
- 218.04015073
Names & identifiers
- Preferred name
- Acetic acid, 2-(2-naphthalenylthio)-
- IUPAC
- 2-naphthalen-2-ylsulfanylacetic acid
- English name
- (2-NAPHTHYLTHIO)ACETIC ACID
- Molecular formula
- C12H10O2S
- Molecular weight
- 218.27
Names & synonyms
(2-Naphthylthio)acetic acidBrown G Acid2-Naphthylthioglycolic acidThioglycolic acid, 2-naphthyl-beta-Naphthylthioglycolic acidAcetic acid, 2-(2-naphthalenylthio)-Acetic acid, (2-naphthylthio)-Naphthalene-beta-thioglycolic acidNSC 2735EINECS 202-229-3RefChem:552094Acetic acid, (2-naphthylthio)-(8CI)
Show more names
RARECHEM AL BO 16032-(2-naphthylthio)acetic acid(2-naphthalenylthio)-aceticaciB-(NAPHTHYLMERCAPTO)ACETIC ACIDS-(2-Naphtyl)thioglycollic acid(2-Naphthalenylthio)acetic acid
202-229-393-21-02-(naphthalen-2-ylsulfanyl)acetic acid2-(Naphthalen-2-ylthio)acetic acidAcetic acid, (2-naphthalenylthio)-2-naphthalen-2-ylsulfanylacetic acid(2-naphthylsulfanyl)acetic acidMFCD00042708
Database identifiers
- CAS
93-21-0- PubChem CID
- 66728
- DTXSID
DTXSID5059082- EC Number
- 202-229-3
- Nikkaji
- J182.092C
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Melting point
- 89 · 89-91 °C
- Boiling point
- 420.3 · 420.3±28.0 °C(Predicted)
- Density
- 1.31 · 1.31
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 3.7 · 3.70±0.30(Predicted)
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 93 · 93-21-0
- EPA Substance Registry System
- Acetic acid, (2-naphthalenylthio)- (93-21-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H335-H319-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetic acid, 2-(2-naphthalenylthio)-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers5 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
5 records
Compound notes
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