Basic information
- CAS
80936-82-9- Standard SMILES
COCc1ccc(N)cc1- InChIKey
URSADVDNUKPSIK-UHFFFAOYSA-N- Molecular formula
- C8H11NO
- Average molar mass
- 137.18 g/mol
- Monoisotopic mass
- 137.08406397
Names & identifiers
- Preferred name
- 4-(Methoxymethyl)aniline
- IUPAC
- 4-(methoxymethyl)aniline
- English name
- 4-(Methoxymethyl)aniline
- Molecular formula
- C8H11NO
- Molecular weight
- 137.18
Names & synonyms
4-(METHOXYMETHYL)ANILINE80936-82-9DTXSID50570102RefChem:289156DTXCID00520874804-545-2MFCD06804487Benzenamine, 4-(methoxymethyl)-SCHEMBL513260[4-(methoxymethyl)phenyl]amineBBL030690STL368234
Show more names
AKOS MSC-01844-(Methoxymethyl)Benzenamine,4-(methoxymethyl)-
AKOS000111564SY003771AMY203174-(methoxymethyl)benzenamineSCHEMBL513259SCHEMBL3509980XH13444-(methoxymethyl)aniline, AldrichCPR
Database identifiers
- CAS
80936-82-9- PubChem CID
- 15212002
- DTXSID
DTXSID50570102- EC Number
- 804-545-2
- Nikkaji
- J686.460K
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 87.3
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Appearance
- Light brown to brown Solid
- InChI
- InChI=1S/C8H11NO/c1-10-6-7-2-4-8(9)5-3-7/h2-5H,6,9H2,1H3
- InChIKey
- URSADVDNUKPSIK-UHFFFAOYSA-N
- SMILES
- C1(N)=CC=C(COC)C=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H412
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P273-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- HS Code
- 2922190090 · 2922190090
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]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2922190090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302-H412
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P273-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers49 total
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [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]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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