Isoquinoline

Modify Date: 2025-08-21 05:47:15

Isoquinoline Structure
Isoquinoline structure
 Common Name Isoquinoline
CAS Number 119-65-3 Molecular Weight 129.159
Density 1.1±0.1 g/cm3 Boiling Point 243.2±0.0 °C at 760 mmHg
Molecular Formula C9H7N Melting Point 26-28 °C(lit.)
MSDS N/A Flash Point 107.2±0.0 °C

 Use of Isoquinoline


Isoquinoline is an analog of pyridine. Isoquinoline structural-based alkaloids, such as tropoloisoquinoline, phthalideisoquinoline, and naphthylisoquinoline has anti-cancer activities[1].

 Names

Name isoquinoline
Synonym More Synonyms

 Isoquinoline Biological Activity

Description Isoquinoline is an analog of pyridine. Isoquinoline structural-based alkaloids, such as tropoloisoquinoline, phthalideisoquinoline, and naphthylisoquinoline has anti-cancer activities[1].
Related Catalog
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

Density 1.1±0.1 g/cm3
Boiling Point 243.2±0.0 °C at 760 mmHg
Melting Point 26-28 °C(lit.)
Molecular Formula C9H7N
Molecular Weight 129.159
Flash Point 107.2±0.0 °C
Exact Mass 129.057846
PSA 12.89000
LogP 1.96
Vapour Pressure 0.1±0.4 mmHg at 25°C
Index of Refraction 1.642
Water Solubility practically 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 Codes T:Toxic
Risk Phrases R22;R24;R38
Safety Phrases S36/37-S45-S36/37/39
RIDADR UN 2811 6.1/PG 3
WGK Germany 2
RTECS NW6825000
Packaging Group II
Hazard Class 6.1
HS Code 2933499090

 Synthetic Route

 Customs

HS Code 2933499090
Summary 2933499090. 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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