Basic information
- CAS
3840-18-4- Standard SMILES
Cc1ccccc1Oc1ccccc1N- InChIKey
JYJPXACGURQSCB-UHFFFAOYSA-N- Molecular formula
- C13H13NO
- Average molar mass
- 199.25 g/mol
- Monoisotopic mass
- 199.09971404
Names & identifiers
- Preferred name
- 2-(o-Tolyloxy)aniline
- IUPAC
- 2-(2-methylphenoxy)aniline
- English name
- 2-(2-Methylphenoxy)aniline
- Molecular formula
- C13H13NO
- Molecular weight
- 199.25
Names & synonyms
2-(o-Tolyloxy)aniline2-(2-Methylphenoxy)aniline2-Amino-2'-methyldiphenyl etherANILINE, 2-(o-TOLYLOXY)-2-(o-tolyloxy)benzenamine2-(o-Tolyloxy)-anilineL6Y9DB1FGIEINECS 223-329-3NSC 163942BRN 2723291UNII-L6Y9DB1FGINSC-163942
Show more names
2-(2-Methylphenoxy)a2-(o-tolyloxy)-anilin2-(2-Tolyloxy) anilineaminomethyldiphenylether2-(2-Methylphenoxy)anilin2-Aminophenyl-2-crysylether
O-(O-TOLYLOXY)ANILINEJYJPXACGURQSCB-UHFFFAOYSA-DTXSID90191739ANILINE, O-(O-TOLYLOXY)-1-13-00-00109 (Beilstein Handbook Reference)2-(2-METHYLPHENOXY)BENZENAMINERefChem:84838DTXCID80114230
Database identifiers
- CAS
3840-18-4- PubChem CID
- 19692
- DTXSID
DTXSID90191739- ChEMBL
CHEMBL1314101- UNII
- L6Y9DB1FGI
- EC Number
- 223-329-3
- Nikkaji
- J60.195K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 195
Experimental & physicochemical properties
Solubility3.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 196 °C · 196 °C / 23mmHg
- Density
- 1.11 · 1.11
- refractive index
- 1.604 · 1.6040-1.6060
- storage temp.
- 2 · 2-8°C
- form
- clear liquid to cloudy liquid
- pka
- 4 · 4.00±0.10(Predicted)
- color
- Orange to Brown
- CAS DataBase Reference
- 3840 · 3840-18-4(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 Y9DB1FGI · L6Y9DB1FGI
- NIST Chemistry Reference
- 2 · 2-(O-tolyloxy)-aniline(3840-18-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
This chemical does not meet GHS hazard criteria for 2.4% (1 of 42) of reports.
Warning
H315 (97.6%): 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)
Safety data
- rtecs
- BY9750000
- hs_code
- 2922290090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]
宁波君龙新材料有限公司0574 88552218 18969899212 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
安徽合诺生物科技有限公司0555-2761852
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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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