CAS 7651-83-4 7-Isoquinolinol (HCID 459767)

Names & identifiers

Preferred name: 7-Isoquinolinol
IUPAC: isoquinolin-7-ol
English name: 7-Hydroxyisoquinoline
Molecular formula: C9H7NO
Molecular weight: 145.16

Names & synonyms

7-Hydroxyisoquinoline7651-83-47-IsoquinolinolDTXSID90901678RefChem:546618DTXCID901329979676-883-7isoquinolin-7-ol14476-74-5MFCD00456131isoquinoline, 7-hydroxy-SCHEMBL276614

Show more names

IFLAB-BB F2124-06597-Hydroxyisoquinoline 98%7-Hydroxyisoquinoline,97%7-Hydroxyisoquinoline,97%,HC-60027-Hydroxyisoquinoline, 95% (Custom work)7-Hydroxyisoquinoline ISO 9001：2015 REACHIsoquinolin-7-ol, 7-Hydroxy-2-azanaphthalene

SCHEMBL276615SCHEMBL1450911WCRKBMABEPCYII-UHFFFAOYSA-NSBB056018AKOS001061431AC-9567CS-W011000MB01177

Database identifiers

CAS: 7651-83-4
PubChem CID: 459767
DTXSID: DTXSID90901678
EC Number: 676-883-7
Nikkaji: J1.094.755C

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 33.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 138

Physicochemical properties

Melting point: 226 · 226-228°C
Boiling point: 264.27 °C · 264.27°C (rough estimate)
Density: 1.1555 · 1.1555 (rough estimate)
refractive index: 1.45 · 1.4500 (estimate)
storage temp.: Inert atmosphere,Room Temperature
solubility: Soluble in methanol and concentrated sulfuric acid.
pka: 5.68 · 5.68(at 20℃)
form: solid
color: Off-white to light yellow
BRN: 113224 · 113224
CAS DataBase Reference: 7651 · 7651-83-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-41-37/38-22
Safety Statements: 26 · 26-36/37/39-39
Hazard Note: Harmful/Keep Cold
HS Code: 2933499090 · 2933499090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (33.3%)；STOT SE 3 (100%)

Safety data

hs_code: 2933499090
risk_code: 36/37/38-41-37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
hazard_note: Harmful/Keep Cold
safety_code: 26-36/37/39-39
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications · 1 item

Uses7-Hydroxyisoquinoline is used to study its photophysial behavior in polymer matrices such as polymethyl methacrylate, cellulose acetate, polyvinyl alcohol and sulfonated tetrafluoroethylene based fluoropolymer- copolymer. It also used to prepare quinine. Further, it is used as the material for all optical switching due to its excited state proton transfer (ESPT) effect.