Basic information
- CAS
74165-74-5- Standard SMILES
COc1cc(N)cc(C(=O)O)c1- InChIKey
DBEMTZANGFGKMX-UHFFFAOYSA-N- Molecular formula
- C8H9NO3
- Average molar mass
- 167.16 g/mol
- Monoisotopic mass
- 167.05824315
Names & identifiers
- Preferred name
- 3-Amino-5-methoxybenzoic acid
- IUPAC
- 3-amino-5-methoxybenzoic acid
- English name
- 3-Amino-5-methoxybenzoic acid
- Molecular formula
- C8H9NO3
- Molecular weight
- 167.16
Names & synonyms
3-Amino-5-methoxybenzoic acid74165-74-5DTXSID70551675RefChem:92928DTXCID60502459628-595-8MFCD077837183-amino-5-methoxy-benzoic acidSCHEMBL1772243-amino-5-(methyloxy)benzoic acid3-Amino-5-methoxybenzoic acid, 97%AKOS016010130
Show more names
Benzoic acid, 3-aMino-5-Methoxy-3-AMino-5-Methoxybenzoic acid 97%3-AMINO-5-METHOXYBENZOIC ACID USP/EP/BP
CS-W021838AB42796DS-4238SY1013443-AMINO-5-METHOXYBENZOICACIDAMY22885DBEMTZANBB 0257442
Database identifiers
- CAS
74165-74-5- PubChem CID
- 13874409
- DTXSID
DTXSID70551675- EC Number
- 628-595-8
- Nikkaji
- J2.458.273F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 180 · 180-185 °C
- Boiling point
- 392.8 · 392.8±27.0 °C(Predicted)
- Density
- 1.303 · 1.303±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- solid
- pka
- 4.33 · 4.33±0.10(Predicted)
- Appearance
- Brown to khaki Solid
- Major Application
- peptide synthesis
- InChI
- 1S/C8H9NO3/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4H,9H2,1H3,(H,10,11)
- InChIKey
- DBEMTZANGFGKMX-UHFFFAOYSA-N
- SMILES
- COc1cc(N)cc(c1)C(O)=O
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (95%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (95%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- hs_code
- 2916399090
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- 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
Usespeptide synthesis
Suppliers57 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）
Related reactions
3 records
Compound notes
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