b-Resorcylaldehyde

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Names

[ CAS No. ]:
95-01-2

[ Name ]:
b-Resorcylaldehyde

[Synonym ]:
2,4,6-TRIPHENYL-S-TRIAZINE
Benzaldehyde, 2,4-dihydroxy-
4-Hydroxysalicylaldehyde
resorcialdehyde
2,4-Dihydroxybenzaldehyde
β-Resorcylaldehyde
4-Formylresorcinol
MFCD00011686
ethyl 7-hydroxycoumarin-3-carboxylate
b-Resorcylaldehyde
Benzaldehyde,2,4-dihydroxy
p-hydroxysalicylic aldehyde
EINECS 202-383-1
2,4-dihydroxy-benzaldehyde

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
350.7±0.0 °C at 760 mmHg

[ Melting Point ]:
135-137 °C(lit.)

[ Molecular Formula ]:
C7H6O3

[ Molecular Weight ]:
138.121

[ Flash Point ]:
165.9±16.1 °C

[ Exact Mass ]:
138.031693

[ PSA ]:
57.53000

[ LogP ]:
1.38

[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.674

[ Storage condition ]:
-20?C Freezer

[ Stability ]:
Stable. May be air sensitive. Combustible. Incompatible with strong oxidizing agents.

[ Water Solubility ]:
soluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VH3600000
CHEMICAL NAME :
beta-Resorcylaldehyde
CAS REGISTRY NUMBER :
95-01-2
BEILSTEIN REFERENCE NO. :
0878548
LAST UPDATED :
199710
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C7-H6-O3
MOLECULAR WEIGHT :
138.13

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533439
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1380 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IJANDP International Journal of Andrology. (Scriptor Publisher ApS, 15 Gasvaerksvej, DK-1656 Copenhagen V, Denmark) V.1- 1978- Volume(issue)/page/year: 10,741,1987
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 14,449,1976

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R22;R36/37/38

[ Safety Phrases ]:
S26-S36-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
VH3600000

[ Packaging Group ]:
I; II; III

[ HS Code ]:
29124900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Chloroform
  • Resorcine
  • N,N-Dimethylformamide
  • 1-(7-methylnaphthalen-1-yl)ethan-1-one
  • zinc,dicyanide
  • Formamide, N-phenyl-
  • Cyanogen bromide
  • HYDROGEN CYANIDE
  • 2,4-bis(3-methylbut-2-enoxy)benzaldehyde
  • 2-Hydroxy-4-methoxybenzaldehyde

DownStream

  • 5-HYDROXY-2,2-DIMETHYL-2H-CHROMENE-6-CARBALDEHYDE
  • 7-hydroxy-2,2-dimethylchromene-6-carbaldehyde
  • 4-Methyl-1,3-benzenediol
  • Isofraxidin
  • 1,2,4-Trihydroxybenzene
  • 4-benzyloxy-2-methoxybenzaldehyde
  • 2-[(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]acetic acid
  • Rutamarin
  • Formononetin
  • 2,4,5-Trimethoxybenzaldehyde

Customs

[ HS Code ]: 2912499000

[ Summary ]:
2912499000. other aldehyde-ethers, aldehyde-phenols and aldehydes with other oxygen function. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%

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