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N-(2-Amino-4-(trifluoromethyl)phenyl)morpholine

HCID 136624
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
784-57-6
Standard SMILES
Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIKey
CNVOJNRNRNAOOP-UHFFFAOYSA-N
Molecular formula
C11H13F3N2O
Average molar mass
246.23 g/mol
Monoisotopic mass
246.09799753

Names & identifiers

Preferred name
N-(2-Amino-4-(trifluoromethyl)phenyl)morpholine
IUPAC
2-morpholin-4-yl-5-(trifluoromethyl)aniline
English name
3-Amino-4-(4-morpholino)benzotrifluoride
Molecular formula
C11H13F3N2O
Molecular weight
246.23

Names & synonyms

784-57-62-(morpholin-4-yl)-5-(trifluoromethyl)anilinen-[2-amino-4-(trifluoromethyl)phenyl]morpholineN-(2-Amino-4-(trifluoromethyl)phenyl)morpholineDTXSID10229063RefChem:824879DTXCID30151554670-893-52-morpholino-5-(trifluoromethyl)aniline2-morpholin-4-yl-5-(trifluoromethyl)aniline3-amino-4-(4-morpholino)benzotrifluoride2-(4-morpholinyl)-5-(trifluoromethyl)aniline
Show more names
AKOS BB-8567AKOS B033323AURORA 23185ASISCHEM U96976Compound Fr13574BUTTPARK 44\09-68AKOS BBS-00002875OTAVA-BB BB72165123093-Amino-4-(Morpholino)Benzotrifluori
MFCD00042160n-[2-amino-4-(trifluoromethyl)phenyl]-morpholineN-(2-Amino-4-trifluoromethylphenyl)morpholine2-morpholin-4-yl-5-(trifluoromethyl)phenylamineEnamine_0010602-Morpholin-4-yl-5-trifluoromethyl-phenylamine4-[2-amino-4-(trifluoromethyl)phenyl]morpholineMLS001007011

Database identifiers

CAS
784-57-6
PubChem CID
136624
DTXSID
DTXSID10229063
ChEMBL
CHEMBL1492269
EC Number
670-893-5
Nikkaji
J265.922K

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
38.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
17
Formal charge
0
Complexity
254

Experimental & physicochemical properties

Solubility36.7 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point
127 · 127-128°C
storage temp.
2 · 2-8°C(protect from light)
Appearance
White to off-white Solid
Water Solubility
Insoluble in water.
BRN
213147 · 213147
CAS DataBase Reference
784 · 784-57-6(CAS DataBase Reference)
Symbol(GHS)
6 · GHS06
Signal word
Danger
Hazard statements
302 · H302-H312-H302+H312-H315-H319-H331-H335
Precautionary statements
261 · P261-P280-P305+P351+P338-P311-P304+P340-P405-P501a
Hazard Codes
Xi,T
Risk Statements
36 · 36/37/38-23-21/22
Safety Statements
26 · 26-36/37/39-36/37
RIDADR
2811 · 2811
WGK Germany
3 · 3
Hazard Note
Harmful
HazardClass
6.1 · 6.1
PackingGroup
III
HS Code
2934999090 · 2934999090
Limited Quantities
5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities
Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

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 · 5 items

Danger

H302+H312 (84.4%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal];H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (84.4%): Toxic if inhaled [Danger Acute toxicity, inhalation];H332 (15.6%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (100%): 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, P316, 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 45 reports by companies from 5 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 (100%);Acute Tox. 4 (100%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);Acute Tox. 3 (84.4%);Acute Tox. 4 (15.6%);STOT SE 3 (100%)

Safety data

wgk
3
ridadr
2811
hs_code
2934999090
risk_code
36/37/38-23-21/22
Signal word
Danger
Symbol(GHS)
GHS06
hazard_code
Xi,T
hazard_note
Harmful
safety_code
26-36/37/39-36/37
hazard_class
6.1
packing_group
III
Hazard statements
H302-H312-H302+H312-H315-H319-H331-H335
Limited Quantities
5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities
Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements
P261-P280-P305+P351+P338-P311-P304+P340-P405-P501a

Chemistry & industry

Applications

Uses2-(4-Morpholinyl)-5-(trifluoromethyl)aniline is used as pharmaceutical intermediate.

Suppliers34 total

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [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]
TargetMol 中国(陶术生物)400-821-0310 15002144251 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
淮安海玻瑞恩医药研发有限公司18114966287 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318584237 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]

Related reactions

17 records
New reaction record
HRID 99662 reaction equation
HRID 99662As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 262011 reaction equation
HRID 262011As reactantuspto-grants-1979_05
HRID 421111 reaction equation
HRID 421111As reactantuspto-grants-2012_01
HRID 446267 reaction equation
HRID 446267As reactantuspto-grants-2013_07
HRID 820024 reaction equation
HRID 820024As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 831282 reaction equation
HRID 831282As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 959083 reaction equation
HRID 959083As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1112557 reaction equation
HRID 1112557As reactantuspto-grants-1978_10
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Compound notes

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