Basic information
- CAS
57772-50-6- Standard SMILES
Cc1cccc(CO)c1N- InChIKey
FWTCWZZOKOBJIR-UHFFFAOYSA-N- Molecular formula
- C8H11NO
- Average molar mass
- 137.18 g/mol
- Monoisotopic mass
- 137.08406397
Names & identifiers
- Preferred name
- 2-Amino-3-methylbenzyl alcohol
- IUPAC
- (2-amino-3-methylphenyl)methanol
- English name
- 2-AMINO-3-METHYLBENZYL ALCOHOL
- Molecular formula
- C8H11NO
- Molecular weight
- 137.18
Names & synonyms
57772-50-62-Amino-3-methylbenzyl alcoholDTXSID60341941RefChem:463939DTXCID50293021625-572-4(2-Amino-3-methylphenyl)methanolMFCD00075027Benzenemethanol, 2-amino-3-methyl-(2-Amino-3-methyl-phenyl)-methanol(2-Amino-3-methyl-phenyl)methanol(2-Amino-3-methylphenyl)methanol #
Show more names
2-Amino-3-methylbenzenemethanol2-AMino-3-Methylbenzyl alcohol 97%2-AMINO-3-METHYLBENZYL ALCOHOL USP/EP/BP
SY129145CS-00987542-Amino-3-methylbenzenemethanol; 2-Amino-3-methylbenzyl alcoholA923090SCHEMBL751788SCHEMBL4057276SCHEMBL30961936STR05045
Database identifiers
- CAS
57772-50-6- PubChem CID
- 577176
- DTXSID
DTXSID60341941- EC Number
- 625-572-4
- Nikkaji
- J2.879.394D
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Melting point
- 67 · 67-69 °C (lit.)
- Boiling point
- 135 · 135-145℃ (12 Torr)
- Density
- 1.126 · 1.126±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Chloroform (Slightly)
- form
- Solid
- pka
- 14.48 · 14.48±0.10(Predicted)
- color
- White to Off-White
- InChI
- InChI=1S/C8H11NO/c1-6-3-2-4-7(5-10)8(6)9/h2-4,10H,5,9H2,1H3
- InChIKey
- FWTCWZZOKOBJIR-UHFFFAOYSA-N
- SMILES
- C1(CO)=CC=CC(C)=C1N
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
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]
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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-Amino-3-methylbenzyl alcohol may be used in chemical synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers73 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南赢创生物科技有限公司
Related reactions
2 records
Compound notes
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