Basic information
- CAS
349-65-5- Standard SMILES
COc1ccc(C(F)(F)F)cc1N- InChIKey
RKUSRLUGUVDNKP-UHFFFAOYSA-N- Molecular formula
- C8H8F3NO
- Average molar mass
- 191.15 g/mol
- Monoisotopic mass
- 191.05579854
Overview
2-Methoxy-5-(trifluoromethyl)aniline is a member of (trifluoromethyl)benzenes.
Names & identifiers
- Preferred name
- 2-Methoxy-5-(trifluoromethyl)aniline
- IUPAC
- 2-methoxy-5-(trifluoromethyl)aniline
- English name
- 2-Methoxy-5-(trifluoromethyl)aniline
- Molecular formula
- C8H8F3NO
- Molecular weight
- 191.15
Names & synonyms
2-Methoxy-5-(trifluoromethyl)aniline349-65-5DTXSID10344947RefChem:474442DTXCID40296021626-005-33-Amino-4-methoxybenzotrifluoride2-Amino-4-trifluoromethylanisoleMFCD00042486Benzenamine, 2-methoxy-5-(trifluoromethyl)-2-methoxy-5-(trifluoromethyl)benzenamine2-Methoxy-5-trifluoromethylaniline
Show more names
BUTTPARK 50\01-75Telmovir impurity HLetermovir Intermediate 25-trifluoromethyl-o-anisidine6-methoxy-α,α,α-trifluoro-m-toluidine2-Methoxy-5-(trifluoromethyl)aniline>
2-Amino-4-(trifluoromethyl)anisole5-(Trifluoromethyl)-2-methoxyaniline2-Methoxy-5-trifluoromethyl-phenylamineM2212VU0510740-16-Methoxy-.alpha.,.alpha.,.alpha.-trifluoro-m-toluidine2-Methoxy-5-(trifluoromethyl)phenylamine5-(Trifluoromethyl)-o-anisidine
Database identifiers
- CAS
349-65-5- PubChem CID
- 600637
- DTXSID
DTXSID10344947- ChEBI
CHEBI:194915- UNII
- BPM53GMU3T
- EC Number
- 626-005-3
- Nikkaji
- J265.587J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Melting point
- 58 · 58-60 °C (lit.)
- Boiling point
- 230.1 · 230.1±40.0 °C(Predicted)
- Density
- 1.2645 · 1.2645 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 3.31 · 3.31±0.10(Predicted)
- form
- Crystalline Powder
- color
- Beige-gray to brown
- BRN
- 2835713 · 2835713
- InChI
- InChI=1S/C8H8F3NO/c1-13-7-3-2-5(4-6(7)12)8(9,10)11/h2-4H,12H2,1H3
- InChIKey
- RKUSRLUGUVDNKP-UHFFFAOYSA-N
- SMILES
- C1(N)=CC(C(F)(F)F)=CC=C1OC
- CAS DataBase Reference
- 349 · 349-65-5(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36-36/37/39
- RIDADR
- 2811 · UN2811
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29222990 · 29222990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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 85 reports by companies from 9 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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- UN2811
- hs_code
- 29222990
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 26-36-36/37/39
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Applications
Uses2-Methoxy-5-(trifluoromethyl)aniline may be used in chemical synthesis.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Ark Pharm, Inc.847-367-3680 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
江苏弘和药物研发有限公司5108538618 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
成都福尔斯特医药技术有限公司028-87078428 028-87074958 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
天津津御达化工科技有限公司022-58013646 13011382049 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
阜新奥瑞凯精细化工有限公司（沈阳同元素）+86-024-83607930 18640359690 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
Shanghai Witofly Chemical Co.,Ltd[email protected]
上海睿升化工科技有限公司+86-021-50935922
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
苏州月朗星稀化学有限公司0512-62857507 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
天津安浩生物科技有限公司[email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
北京欣赛维化学科技有限公司010-56218822 13717722232 · [email protected]
上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
北京华扬致成科技有限公司13716033033 · [email protected]
上海容立化学科技有限公司021-69992220 13701886816 · [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]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
北京禾兴源科技有限公司18511709189 · [email protected]
常州优凯美医药科技有限公司0519-86058959 13775231161 · [email protected]
Additional notes
DefinitionChEBI: 2-Methoxy-5-(trifluoromethyl)aniline is a member of (trifluoromethyl)benzenes.
Related reactions
97 records
Compound notes
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