CAS 119-65-3|Isoquinoline

Introduction:Basic information about CAS 119-65-3|Isoquinoline, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameIsoquinoline
CAS Number119-65-3Molecular Weight129.159
Density1.1±0.1 g/cm3Boiling Point243.2±0.0 °C at 760 mmHg
Molecular FormulaC9H7NMelting Point26-28 °C(lit.)
MSDS/Flash Point107.2±0.0 °C

Names

Nameisoquinoline
SynonymMore Synonyms

Isoquinoline BiologicalActivity

DescriptionIsoquinoline is an analog of pyridine. Isoquinoline structural-based alkaloids, such as tropoloisoquinoline, phthalideisoquinoline, and naphthylisoquinoline has anti-cancer activities[1].
Related CatalogResearch Areas >>CancerSignaling Pathways >>Others >>Others
References

[1]. Zhi-Xing Qing, et al. Anticancer and Reversing Multidrug Resistance Activities of Natural Isoquinoline Alkaloids and Their Structure-activity Relationship. Curr Med Chem

Chemical & Physical Properties

Density1.1±0.1 g/cm3
Boiling Point243.2±0.0 °C at 760 mmHg
Melting Point26-28 °C(lit.)
Molecular FormulaC9H7N
Molecular Weight129.159
Flash Point107.2±0.0 °C
Exact Mass129.057846
PSA12.89000
LogP1.96
Vapour Pressure0.1±0.4 mmHg at 25°C
Index of Refraction1.642
InChIKeyAWJUIBRHMBBTKR-UHFFFAOYSA-N
SMILESc1ccc2cnccc2c1
Water Solubilitypractically insoluble

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NW6825000
CHEMICAL NAME :
Isoquinoline
CAS REGISTRY NUMBER :
119-65-3
LAST UPDATED :
199806
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C9-H7-N
MOLECULAR WEIGHT :
129.17
WISWESSER LINE NOTATION :
T66 CNJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,848,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
360 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 4,119,1951
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
590 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 4,119,1951
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85IXA4 "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948 Volume(issue)/page/year: -,695,1948
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Amphibian - frog
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85IXA4 "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948 Volume(issue)/page/year: -,695,1948 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - T0820 No. of Facilities: 33 (estimated) No. of Industries: 1 No. of Occupations: 4 No. of Employees: 28314 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - T0820 No. of Facilities: 432 (estimated) No. of Industries: 8 No. of Occupations: 11 No. of Employees: 2319 (estimated) No. of Female Employees: 316 (estimated)

Safety Information

Hazard CodesT:Toxic
Risk PhrasesR22;R24;R38
Safety PhrasesS36/37-S45-S36/37/39
RIDADRUN 2811 6.1/PG 3
WGK Germany2
RTECSNW6825000
Packaging GroupII
Hazard Class6.1
HS Code2933499090

Customs

HS Code2933499090
Summary2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Synonyms

ISOCHINOLIN
ISOQUINOLIN
Isochinoline
EINECS 204-341-8
ISOQINOLINE
Isoquinoline
LEUCOLINE
FEMA 2978
2-BENZAZINE
iso-quinoline
MFCD00006898
isoqionoline
2-Benzanine
Benzopyridine
Fasudil Impurity 14
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