Compound: O-XYLENE
SMILES: c1(c(cccc1)C)C
InChIKey: CTQNGGLPUBDAKN-UHFFFAOYSA-N
Synonyms: O-XYLENE, 1,2-Dimethylbenzene, 1,2-Xylene, 95-47-6, Ortho-Xylene, o-Xylol, o-Dimethylbenzene, o-Methyltoluene, 2-Xylene, 3,4-Xylene, Benzene, 1,2-dimethyl-, 1,2-Dimethylbenzol, 2-Methyltoluene, orthoxylene, DTXSID3021807, Z2474E14QP, NSC-60920, DTXCID501807, CHEBI:28063, RefChem:97, 202-422-2, o-Xylenes, Xylene, o-, Benzene, o-dimethyl-, MFCD00008519, NSC 60920, o-Xylene-dimethyl-13C2, BENZENE,1,2-DIMETHYL, CHEMBL45005, CCRIS 905, HSDB 134, EINECS 202-422-2, O-Xylene-alpha,alpha-13c2,99 atom % 13 c, UNII-Z2474E14QP, dimethyl benzene, dimethyl-benzene, AI3-08197, Xylenes ACS, Xylene, o-isomer, 1,2-dimethyl-benzene, o-Xylene, HPLC Grade, O-XYLENE [MI], SCHEMBL772, 2-XYLENE [HSDB], bmse000526, EC 202-422-2, SCHEMBL2972, o-Xylene, anhydrous, 97%, SCHEMBL27384, SCHEMBL58138, SCHEMBL58209, 1,2-XYLOL, o-Xylene, analytical standard, SCHEMBL269466, SCHEMBL375721, SCHEMBL540190, SCHEMBL648314, o-Xylene, for HPLC, 98%, SCHEMBL1860106, SCHEMBL2052419, SCHEMBL2282203, SCHEMBL2854068, SCHEMBL3335050, SCHEMBL4801658, SCHEMBL5052371, SCHEMBL5675806, SCHEMBL6032063, WLN: 1R B1, o-Xylene, for synthesis, 98%, SCHEMBL10732092, SCHEMBL20183557, SCHEMBL22284129, SCHEMBL29385454, SCHEMBL31015813, 188l, o-Xylene, Spectrophotometric Grade, NSC60920, o-Xylene 10 microg/mL in Methanol, Tox21_200658, BDBM50008560, EBC-03944, SBB040816, STL264206, o-Xylene 100 microg/mL in Methanol, AKOS000269058, o-Xylene, reagent grade, >=98.0%, CAS-95-47-6, NCGC00091662-01, NCGC00091662-02, NCGC00091662-03, NCGC00258212-01, o-Xylene, spectrophotometric grade, 98%, BS-20678, o-Xylene [UN1307]  [Flammable liquid], O-Xylene(Discontinued,See C4X-179235), o-Xylene, SAJ special grade, >=98.5%, DB-257286, NS00007915, S0650, ST50214390, X0012, EN300-25617, o-Xylene, puriss. p.a., >=99.0% (GC), C07212, Q2988108, F1908-0112, InChI=1/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H, o-Xylene, Pharmaceutical Secondary Standard; Certified Reference Material, Xy
Theoretical properties:
molecular_formula: C8H10
molecular_weight: 106.16 g/mol
exact_mass: 106.078250319 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 0
heavy_atom_count: 8
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless liquid
color: Colorless liquid
odor: Sweet
boiling_point: 289 to 293 °F at 760 mmHg (NTP, 1992)
melting_point: -13 to -9 °F (NTP, 1992)
density: 0.88 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: Insoluble (NTP, 1992)
flash_point: 63 °F (NTP, 1992)
vapor_pressure: 10 mmHg at 89.8 °F (NTP, 1992)
Descriptions:
pubchem: O-xylene is a xylene substituted by methyl groups at positions 1 and 2.
chebi: A xylene substituted by methyl groups at positions 1 and 2.
chembl: O-XYLENE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: o-Xylene (ortho-xylene) is an aromatic hydrocarbon with the formula C6H4(CH3)2, with two methyl substituents bonded to adjacent carbon atoms of a benzene ring (the ortho configuration). It is a constitutional isomer of m-xylene and p-xylene, the mixture being called xylene or xylenes. o-Xylene is a colourless slightly oily flammable liquid.