| Identification | More | [Name]
Homophthalic acid | [CAS]
89-51-0 | [Synonyms]
2-CARBOXYBENZENEACETIC ACID
2-(CARBOXYMETHYL)BENZOIC ACID
2-CARBOXYPHENYLACETIC ACID
AKOS AUF2059
ALPHA-CARBOXY-O-TOLUIC ACID
HOMOPHTHALIC ACID
HOMOPHTHALIC DIACID
(O-CARBOXYMETHYL)BENZOIC ACID
RARECHEM AL BO 1086
TOLUENE-2,ALPHA-DICARBOXYLIC ACID
2-carboxy-benzeneaceticaci
alpha-carboxy-o-toluicaci
o-carboxylphenylaceticacid
toluene-alpha,2-dicarboxylicacid
α-Carboxy-o-toluicacid
o-Carboxyphenylacetic acid
HomoPhthalicAcidOr
CarboxyphenylAceticAcid
2-CARBOXYL PHENYLACETIC ACID
α,2-toluenedicarboxylic acid | [EINECS(EC#)]
201-913-9 | [Molecular Formula]
C9H8O4 | [MDL Number]
MFCD00004326 | [Molecular Weight]
180.16 | [MOL File]
89-51-0.mol |
| Chemical Properties | Back Directory | [Appearance]
off-white to light yellow or pale green powder | [Melting point ]
178-182 °C (lit.) | [Boiling point ]
389.5±17.0 °C(Predicted) | [density ]
1.392±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
soluble in Dimethylformamide | [form ]
Powder | [pka]
3.72±0.36(Predicted) | [color ]
Off-white to light yellow or pale green | [Water Solubility ]
12 g/L (20 ºC) | [BRN ]
1872069 | [InChI]
InChI=1S/C9H8O4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13) | [InChIKey]
ZHQLTKAVLJKSKR-UHFFFAOYSA-N | [SMILES]
C1(CC(O)=O)=CC=CC=C1C(O)=O | [CAS DataBase Reference]
89-51-0(CAS DataBase Reference) | [EPA Substance Registry System]
89-51-0(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
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 .
S27:Take off immediately all contaminated clothing . | [WGK Germany ]
3
| [RTECS ]
CY1575590
| [TSCA ]
Yes | [HS Code ]
29173990 | [Storage Class]
11 - Combustible Solids |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Indene-->cis-1,2,3,4-tetrahydronaphthalene-2,3-diol-->1,2-Phenylenediacetic acid | [Preparation Products]
1,3-Dichloroisoquinoline-->2-(CYANOMETHYL)BENZOIC ACID-->1,2,3,4-Tetrahydroisoquinoline-1,3-dione-->5-BROMO-HOMOPHTHALIC ACID-->2-(Benzyloxy)-4-phenethylisoquinoline-1,3(2H,4H)-dione-->2-(4-methoxybenzyl)isoquinoline-1,3(2H,4H)-dione-->2-(benzyloxy)isoquinoline-1,3(2H,4H)-dione |
| Hazard Information | Back Directory | [Chemical Properties]
off-white to light yellow or pale green powder | [Uses]
A remainder phthalic acid. | [Uses]
antidepressant | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 58, p. 4745, 1993 DOI: 10.1021/jo00069a047 | [Purification Methods]
Crystallise the acid from boiling H2O (25mL/g; 63mL/g at 20o), aqueous AcOH (m 180o) Dry it at 100o. The S-benzylisothiuronium salt has m 155-156o (from EtOH). [Price Org Synth 22 611942, Grummitt et al. Org Synth Coll Vol III 449 1955, Beilstein 9 H 857, 9 II 617, 9 III 4266, 9 IV 3343.] The anhydride [703-59-3] M 162.1 has m 141-142o. [Beilstein 17/11 V 270.] |
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J & K SCIENTIFIC LTD.
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Alfa Aesar
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Energy Chemical
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Maya High Purity Chemicals
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