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2615-25-0

2615-25-0 Structure

2615-25-0 Structure
IdentificationMore
[Name]

trans-1,4-Diaminocyclohexane
[CAS]

2615-25-0
[Synonyms]

TIMTEC-BB SBB008553
TRANS-1,4-CYCLOHEXANEDIAMINE
TRANS-1,4-CYCLOHEXYLDIAMINE
TRANS-1,4-DIAMINOCYCLOHEXANE
TRANS-HEXAHYDRO-1,4-PHENYLENEDIAMINE
TRAN(S)-CYCLOHEXANE-1,4-DIAMINE
[EINECS(EC#)]

640-403-4
[Molecular Formula]

C6H14N2
[MDL Number]

MFCD00075174
[Molecular Weight]

114.19
[MOL File]

2615-25-0.mol
Chemical PropertiesBack Directory
[Appearance]

off-white to brown crystals or chunks
[Melting point ]

67-72 °C
[Boiling point ]

197 °C(lit.)
[density ]

0.939±0.06 g/cm3(Predicted)
[vapor pressure ]

18 mm Hg ( 87.2 °C)
[Fp ]

71 °C
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

soluble in Methanol
[form ]

Crystals or Chunks
[pka]

10.78±0.70(Predicted)
[color ]

Off-white to brown
[explosive limit]

6%
[BRN ]

2801657
[InChI]

InChI=1S/C6H14N2/c7-5-1-2-6(8)4-3-5/h5-6H,1-4,7-8H2/t5-,6-
[InChIKey]

VKIRRGRTJUUZHS-IZLXSQMJSA-N
[SMILES]

[C@@H]1(N)CC[C@@H](N)CC1
[CAS DataBase Reference]

2615-25-0(CAS DataBase Reference)
[EPA Substance Registry System]

2615-25-0(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H302-H314
[Precautionary statements ]

P260-P270-P280-P301+P312-P303+P361+P353-P305+P351+P338
[Hazard Codes ]

C
[Risk Statements ]

R22:Harmful if swallowed.
R34:Causes burns.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 3259 8/PG 2
[WGK Germany ]

2
[F ]

10-34
[Autoignition Temperature]

680 °F
[TSCA ]

TSCA listed
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

29213000
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Acute Tox. 4 Oral
Skin Corr. 1B
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Palladium-->Sodium borohydride-->Benzylamine-->Methylcyclohexane-->1,4-Cyclohexanedione-->3-Methylbenzoyl chloride-->cis-1,4-Cyclohexanediamine-->trans-4-Aminocyclohexanol-->4-Nitrophenol-->1,4-Cyclohexanediamine
[Preparation Products]

N-(trans-4-aMinocyclohexyl)-AcetaMide
Hazard InformationBack Directory
[Chemical Properties]

off-white to brown crystals or chunks
[Uses]

trans-1,4-diaminocyclohexane be used as organic intermediates and epoxy curing agents.
[Synthesis]

Cyclohexane-1,4-diamine is one of several produced when p-phenylene diamine is hydrogenated on nickel or cobalt catalysts in methylcyclohexane or dioxane or decaline at 180° C./100 or 150 atmospheres. Trans-1,4-Diaminocyclohexane can be obtained from this isomeric mixture by fractional crystallization as described in U.S. Pat. No. 3,657,345, but several crystallizations are required to achieve this.
A process is disclosed for selectively making trans-1,4-Diaminocyclohexane by reacting ammonia with a mixture of cis and trans-cyclohexane-1,4-dicarboxylic acid, a lower alkyl ester, a glycol ester, an oligomeric ester or a polyester to make a solid trans-dicarboxylic acid diamide in a first step. The diamide is chlorinated to form trans-cyclohexane-1,4-dicarboxylic acid-bis-N-chloramide. The latter compound is then converted into a trans-1,4-Diaminocyclohexane with an alkali or alkaline earth metal hydroxide.
[Purification Methods]

Recrystallise the diamine from pet ether under N2 or Ar as it should be an even stronger base than the above 1,2-diamine isomers. It distils under N2. Store in the dark under N2. [Beistein 13 I 3, 13 III 11.]
[References]

[1] Patent: JP2015/13833, 2015, A. Location in patent: Paragraph 0062; 0073
Spectrum DetailBack Directory
[Spectrum Detail]

trans-1,4-Diaminocyclohexane(2615-25-0)MS
trans-1,4-Diaminocyclohexane(2615-25-0)1HNMR
trans-1,4-Diaminocyclohexane(2615-25-0)13CNMR
trans-1,4-Diaminocyclohexane(2615-25-0)IR1
trans-1,4-Diaminocyclohexane(2615-25-0)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

trans-1,4-Diaminocyclohexane, 99%(2615-25-0)
[Sigma Aldrich]

2615-25-0(sigmaaldrich)
[TCI AMERICA]

trans-1,4-Cyclohexanediamine,>98.0%(GC)(T)(2615-25-0)
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