Basic information
- CAS
39538-68-6- Standard SMILES
COc1cc(C)ccc1N- InChIKey
CJJLEUQMMMLOFI-UHFFFAOYSA-N- Molecular formula
- C8H11NO
- Average molar mass
- 137.18 g/mol
- Monoisotopic mass
- 137.08406397
Names & identifiers
- Preferred name
- 2-Methoxy-p-toluidine
- IUPAC
- 2-methoxy-4-methylaniline
- English name
- 2-methoxy-p-toluidine
- Molecular formula
- C8H11NO
- Molecular weight
- 137.18
Names & synonyms
2-Methoxy-4-methylaniline39538-68-62-Methoxy-p-toluidineEINECS 254-498-1DTXSID90192660RefChem:474543DTXCID30115151254-498-1MFCD064082462-amino-5-methylanisole2-Methoxy-4-methylbenzenamine4-Methyl-2-methoxyaniline
Show more names
2-Methoxy-4-methylanilinem2-Methoxy-4-methylaniline 98%2-Methoxy-4-methylaniline, 97%
Benzenamine, 2-methoxy-4-methyl-SCHEMBL914592-Methoxy-4-methylaniline #2-Methoxy-4-methyl-phenylamine(2-Methoxy-4-methylphenyl)amine2-Methoxy-4-methylaniline, 98%BS-13228F0001-1111
Database identifiers
- CAS
39538-68-6- PubChem CID
- 170219
- DTXSID
DTXSID90192660- EC Number
- 254-498-1
- Nikkaji
- J141.482H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Melting point
- 31 · 31-33 °C
- Boiling point
- 109 °C · 109 °C(Press: 11 Torr)
- Density
- 1.043 g/mL · 1.043 g/mL at 25 °C
- Flash point
- 104 °C · 104°C
- storage temp.
- 2 · 2-8°C(protect from light)
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- Oil to Low-Melting Solid
- pka
- 4.97 · 4.97±0.10(Predicted)
- color
- Pale Brown to Dark Brown
- InChI
- 1S/C8H11NO/c1-6-3-4-7(9)8(5-6)10-2/h3-5H,9H2,1-2H3
- InChIKey
- CJJLEUQMMMLOFI-UHFFFAOYSA-N
- SMILES
- COc1cc(C)ccc1N
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · 3
- HS Code
- 2922290090 · 2922290090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- hs_code
- 2922290090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers64 total
上海康恩博医药科技有限公司17510465506 · [email protected]
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]
天津瑞德法莫科技有限公司13821803402 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
安徽合诺生物科技有限公司0555-2761852
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
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上海钰康生物科技有限公司18939844854 · [email protected]
安徽合诺生物科技有限公司18455579438
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
上海渤腾医药科技有限公司13524892556 · [email protected]
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
南通敏言生物医药科技有限公司0513-85921823 18662920231 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
上海皓骏医药科技有限公司021-34621078 13120882795 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
济南朋耀生物科技有限公司18668967061 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海瀚思化工有限公司17717618050 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
成都效佳科技有限公司15902830537 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
苏州求索生物科技有限公司0512-67862615 13382151840 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
湖州澄博生物科技有限公司13626726938
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
合肥宇乐医药科技有限公司18756548891 15955174703 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
武汉赢元贝商贸有限公司86-13349903920 13349903920 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
Changzhou Ansciep Chemical Co., Ltd.+86 519 86305871 · [email protected]
Related reactions
6 records
Compound notes
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