Basic information
- CAS
40545-33-3- Standard SMILES
Cc1ccc(N)c(C(N)=O)c1- InChIKey
LLSGVPKOCZZLTF-UHFFFAOYSA-N- Molecular formula
- C8H10N2O
- Average molar mass
- 150.18 g/mol
- Monoisotopic mass
- 150.07931295
Names & identifiers
- Preferred name
- 2-Amino-5-methylbenzamide
- IUPAC
- 2-amino-5-methylbenzamide
- English name
- 2-Amino-5-methylbenzamide
- Molecular formula
- C8H10N2O
- Molecular weight
- 150.18
Names & synonyms
2-Amino-5-methylbenzamide40545-33-3DTXSID50438112RefChem:255736DTXCID80388934801-589-4MFCD03428521Benzamide, 2-amino-5-methyl-2-amino-5-methyl-benzamide5-methylanthranilamideCS-W0215692-Amino-5-methylbenzamide, AldrichCPR
Show more names
Benzamide, 2-amino-5-methyl- (9CI)2-AMINO-5-METHYLBENZAMIDE ISO 9001：2015 REACH
SB76188AC-16294DS-13963SY107415EN300-253963Z992346212FT-0639649SCHEMBL688411
Database identifiers
- CAS
40545-33-3- PubChem CID
- 10329436
- DTXSID
DTXSID50438112- EC Number
- 801-589-4
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Melting point
- 178 · 178-180°C
- Boiling point
- 265.7 · 265.7±28.0 °C(Predicted)
- Density
- 1.185 · 1.185±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 15.88 · 15.88±0.50(Predicted)
- form
- solid
- Appearance
- Off-white to light yellow Solid
- InChI
- 1S/C8H10N2O/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H2,10,11)
- InChIKey
- LLSGVPKOCZZLTF-UHFFFAOYSA-N
- SMILES
- Cc1ccc(N)c(c1)C(N)=O
- CAS DataBase Reference
- 40545 · 40545-33-3(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
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 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): 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, P317, 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 3 reports by companies from 3 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 CategoriesAcute Tox. 4 (66.7%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (33.3%)；STOT SE 3 (66.7%)
Safety data
- wgk
- WGK 3
- risk_code
- 36/37/38-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers49 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [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]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
Related reactions
22 records
Compound notes
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