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trans-3,4-Difluorocinnamic acid

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Origin: China

Cas No: 112897-97-9

Specification: 99%min

Min order Quantity: 1 /kg

Supply Ability: 100 mt/month

Lead time: 7 days for OEM, 3 days for ready goods

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Products Specification
Product Description

Quick Details

CAS No.:: 112897-97-9

Other Names:: lignans

MF:: C20H20O11

EINECS No.:: CAS NO 112897-97-9

Place of Origin:: Shaanxi, China

Type:: Agrochemical Intermediates, Dyestuff Intermediates, Flavor & Fragrance Intermediates, Pharmaceutical Intermediates, Syntheses Material Intermediates

Purity:: 99%min

Brand Name:: DIDAC

Model Number:: DAC170112

Application:: Pharm/Chem Industries

Appearance:: solid Form

Structure Identification:: H-NMR&LC-MS

Identification:: Infrared Absorption

Test method:: HPLC-ESI-MS

Content:: 99.0% to 101.0%

Water:: 0.5% Max.

Sulfated ash:: 0.1% Max.

Heavy metals:: 10ppm Max

Total Impurity:: 0.2% Max.

Assay:: HPLC

Disregard limit:: 0.0005%

Packaging&Delivery

Packaging Details: 25kgs/Drum; 200kgs/Drum

Port: Any main port of China

Products Description

Item	Standard	Test Results
Identification	A.H-NMR:Comply with the structure	Complies
		B.LC-MS:Comply with the structure	Complies
		C.The IR spectrum of sample should be identical with that of reference standard;	Complies
		D.HPLC-ESI-MS The retention time of the major peak in the chromatogram of the Assay preparation corresponds to that in the chromatogram of the Standard preparation, as obtained in the Assay.	Complies
Crystallinity	meets the requirements.	Complies
Loss on drying	≤2.0%	0.19%
Heavy metals	≤10 ppm	<10ppm
Water	≤1.0%	0.1%
Sulphated ash	≤0.5%, determined on 1.0 g.	0.009%
Related substances	Unspecified impurities: for each impurity ≤0.10%	<0.10%
Related substances		Total Impurity ≤0.5%	0.18%
Purity	≥99.0%	99.7%
Assay	99.0%~101.0% (anhydrous substance).	99.8%
Storage	Preserve in well-closed, light-resistant and airtight containers.	Complies

Property

CAS No.: 112897-97-9 Formula: C9H6F2O2 Molecular Weight: 184.14000

Basic Info

Chemical Name	trans-3,4-Difluorocinnamic acid
Synonyms	trans-3,4-Difluorocinnamicacid; RARECHEM BK HW 0122; trans-3,4-Difluorociamic acid; trans-3-(3,4-Difluorophenyl)acrylic Acid; (E)-3-(3,4-Difluorophenyl)acrylic acid; 3,4-DIFLUOROCINNAMIC ACID;
CAS No.	112897-97-9
Molecular Formula	C9H6F2O2
Molecular Weight	184.14000
PSA	37.30000
LogP	2.06260

Properties

Appearance & Physical State	white crystal
Density	1.379 g/cm3
Boiling Point	278.5ºC at 760 mmHg
Melting Point	193-198ºC
Flash Point	122.2ºC
Vapor Pressure	0.0017mmHg at 25°C

Safety Info

Safety Statements	S26-S37/39
HS Code	2916399090
WGK Germany	3
Risk Statements	R36/37/38
Hazard Codes	Xi
Signal Word	Warning
Caution Statement	P261; P305 + P351 + P338
Symbol	GHS07
Hazard Declaration	H315; H319; H335

Synthesis Route

Piperidine+3,4-Difluorobenzaldehyde→trans-3,4-Difluorocinnamic acid
1-Bromo-3,4-difluorobenzene+acrylic acid→trans-3,4-Difluorocinnamic acid
malonic acid+3,4-Difluorobenzaldehyde→trans-3,4-Difluorocinnamic acid

Precursor

malonic acid
Piperidine
3,4-Difluorobenzaldehyde
acrylic acid

Downstream Product

(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaminium (2R)-hydroxy(phenyl)ethanoate
(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carboxylic acid
3-(3,4-difluorophenyl)prop-2-enoyl chloride
ticagrelor

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