Isophthalaldehyde

Names

[ CAS No. ]:
626-19-7

[ Name ]:
Isophthalaldehyde

[Synonym ]:
MFCD00003372
Isophthalaldehyde
EINECS 210-935-8
benzene-1,3-dicarbaldehyde
1,3-Benzenedicarboxaldehyde
m-Phthalaldehyde
Benzol-1,3-dicarbaldehyd
1,3-Benzenedicarboxaldehyde (9CI)

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
255.3±23.0 °C at 760 mmHg

[ Melting Point ]:
87-88 °C(lit.)

[ Molecular Formula ]:
C₈H₆O₂

[ Molecular Weight ]:
134.132

[ Flash Point ]:
94.1±19.6 °C

[ Exact Mass ]:
134.036774

[ PSA ]:
34.14000

[ LogP ]:
1.34

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.623

[ Stability ]:
Stable. Combustible. Incompatible with strong oxidizing agents.

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NT1981000

CHEMICAL NAME :: Isophthalaldehyde

CAS REGISTRY NUMBER :: 626-19-7

BEILSTEIN REFERENCE NO. :: 1561038

LAST UPDATED :: 199612

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C8-H6-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#07922

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 696 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: COREAF Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. (Paris, France) V.1-261, 1835-1965. For publisher information, see CRASEV. Volume(issue)/page/year: 246,851,1958 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4418 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 28 (estimated)

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
NT1981000

[ HS Code ]:
2912299000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

1,3-bis-diacetoxymethyl-benzene
m-phthaloyl chloride
Isophthalic acid
1,3-Bis(bromomethyl)benzene
1,3-Phenylenedimethanol
Trimesic acid
Dimethyl isophthalate
1,3-Bis(dibromomethyl)benzene
m-Xylene

DownStream

3-[[tert-butyl(diphenyl)silyl]oxymethyl]benzaldehyde
1,3-Bis(dibromomethyl)benzene
m-Dibenzoylbenzene
3-FORMYL-BENZOIC ACID ETHYL ESTER
1,3-Bis(4,5-dihydro-2-oxazolyl)benzene
2-[3-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole
3-Methylbenzyl alcohol
m-Xylene
Toluene
benzene

Customs

[ HS Code ]: 2912299000

[ Summary ]:
2912299000. other cyclic aldehydes without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

Articles

The effect of outer-sphere acidity on chemical reactivity in a synthetic heterogeneous base catalyst.

Angew. Chem. Int. Ed. Engl. 42(42) , 5219-22, (2003)

AT-specific DNA binding of binuclear ruthenium complexes at the border of threading intercalation.

Chemistry 16(36) , 11037-46, (2010)

The binuclear ruthenium complex [μ-bidppz(phen)(4)Ru(2)](4+) has been extensively studied since the discovery of its unusual threading intercalation interaction with DNA, a binding mode with extremely...