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Nitroterephthalic acid

Nitroterephthalic acid structure

CAS No:
610-29-7
Formula:
C8H5NO6
Chemical Name:
Nitroterephthalic acid
Synonyms:
1,4-Benzenedicarboxylic acid,2-nitro-;Terephthalic acid,nitro-;2-Nitro-1,4-benzenedicarboxylic acid;Nitroterephthalic acid;2-Nitroterephthalic acid;2-Nitrobenzene-1,4-dicarboxylic acid;2-Nitro-p-phthalic acid;NSC 48124;NSC 75848
Categories:
Specialty Chemicals

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Description

white crystalline powder

Nitroterephthalic acid Basic Attributes

Molecular Weight：

211.13

Exact Mass：

211.13

EC Number：

210-217-4

NSC Number：

75848

DSSTox ID：

DTXSID8060583

HScode：

2915900090

Characteristics

PSA：

120

XLogP3：

Appearance：

White to light beige Powder

Density：

1.7±0.1 g/cm3

Melting Point：

199 °C

Boiling Point：

350.79°C (rough estimate)

Flash Point：

205.5±15.8 °C

Refractive Index：

1.660

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37/39

Marks：

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Nitroterephthalic acid Use and Manufacturing

Methods of Manufacturing

1 part by weight of PTA was mixed with 8 parts by weight of concentrated sulfuric acid having a concentration of 82percent at 5 ° C, Then slowly add 1percent by weight of 66percent concentrated nitric acid, heat for 1 hour to 60 ° C, and heat for 1 hourTo 80 ° C for 10 hours at 80 ° C. After the reaction was completed, the reaction mixture was cooled to room temperature and vacuum filtered.Filter cake and deionized water mixed evenly after vacuum filtration, repeated filter cake by adding deionized water for vacuum filtration operation untilThe collected filtrate was recrystallized in ice water, filtered, and dried in vacuo at 60 ° C for 2 hours to give PTANitro compound of PTA, the purity of the nitro compound of PTA is 93percent and the yield is 68.6percent;

Manufacturing Info：

1,4-Benzenedicarboxylic acid, 2-nitro-: ACTIVE

Computed Properties

Molecular Weight:211.13
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:211.01168688
Monoisotopic Mass:211.01168688
Topological Polar Surface Area:120
Heavy Atom Count:15
Complexity:296
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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