Isoquinoline

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

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].

Name	isoquinoline
Synonym	More Synonyms

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

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
InChIKey	AWJUIBRHMBBTKR-UHFFFAOYSA-N
SMILES	c1ccc2cnccc2c1
Water Solubility	practically insoluble

Isoquinoline MSDS(Chinese)

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)

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

Precursor 8
CAS#:91-21-4 1,2,3,4-Tetrahy... CAS#:1532-72-5 Isoquinoline N-oxide CAS#:486-73-7 1-Isoquinolinec... CAS#:1532-97-4 4-Bromoisoquinoline
CAS#:98-80-6 Phenylboronic acid CAS#:77123-58-1 2-[(TRIMETHYLSI... CAS#:643-79-8 o-Phthalaldehyde CAS#:74-86-2 Acetylene
DownStream 9
CAS#:111876-50-7 4-naphthalen-2-... CAS#:3878-69-1 1-methyl-2-(1-m... CAS#:85510-65-2 1-methyl-2-(1-m... CAS#:106011-94-3 [1-(1-methylben...
CAS#:134-81-6 Benzil CAS#:13745-35-2 (1-methyl-1H-be... CAS#:34846-65-6 4-Isoquinolinec... CAS#:34784-07-1 8-Chloroisoquinoline
CAS#:34784-02-6 3-Bromoisoquinoline

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%

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273

Name: Membrane permeability, CA(t)/CD(0) in 70% silicon-30% IPM membrane
Source: ChEMBL
Target: N/A
External Id: CHEMBL865960

Name: Effective permeability coefficient in 70% silicon-30% IPM membrane
Source: ChEMBL
Target: N/A
External Id: CHEMBL865961

Name: Dissociation constant, pKa of the compound
Source: ChEMBL
Target: N/A
External Id: CHEMBL865962

Name: Membrane retention in 70% silicon-30% IPM membrane
Source: ChEMBL
Target: N/A
External Id: CHEMBL865959

Name: Permeability in human skin
Source: ChEMBL
Target: Homo sapiens
External Id: CHEMBL865441

Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482

Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344

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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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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Isoquinoline
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Shanghai Jizhi Biochemical Technology Co., Ltd
China
Product Name: Isoquinoline
Price: ￥358.0/500g ￥108.0/100g ￥82.0/25g
Purity: 97.0%
Delivery: Inquiry
Contact: Liu jia
Email: 2130147988@qq.com

Henan Tianfu Chemical Co., Ltd.
China
Product Name: Isochinolin
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
Delivery: Inquiry
Contact: Anson
Email: info@tianfuchem.com

Zhongshan Xingrui Chemical Co. , Ltd.
China
Product Name: Isoquinoline
Price: ￥Inquiry/1kg ￥Inquiry/25kg ￥Inquiry/200kg
Purity: 98.0%
Delivery: 3 Day
Contact: Wang Jie
Email: 3096638339@qq.com

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.