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Home> Encyclopedia > Hot Product Listed 4   > 4-Hydroxybenzaldehyde
123-08-0 structure

4-Hydroxybenzaldehyde

Iupac Name:4-hydroxybenzaldehyde
CAS No.:123-08-0
EINECS(EC#): 204-599-1
Molecular Weight:122.123
Molecular Formula:C7H6O2 (isomer)
Names and Identifiers
Synonyms

1K03 4-(hydroxymethylene)-2,5-cyclohexadiene-1-one 4CN-0915 4-formyl phenol 4-formylphenol 4-formyl-phenol 4-hydoxybenzaldehyde 4-hydroxibenzaldehyde 4-hydroxy benzaldehyde 4-hydroxybenzaldehyd 4hydroxybenzaldehyde 4--hydroxybenzaldehyde 4-hydroxy-benzaldehyde 4-hydroxybenzaldehyde, >=95.0% (hplc) 4-hydroxybenzaldehyde, >=97%, fg 4-hydroxybenzaldehyde, 98% 4-hydroxybenzaldehyde, 98% 25g 4-hydroxybenzaldehye 4-hydroxybenzenecarbonal 4-hydroxybezaldehyde 4-hydroxyl benzaldehyde 4-hydroxylbenzaldehyde 85361-EP2272817A1 85361-EP2272972A1 85361-EP2272973A1 85361-EP2277872A1 85361-EP2284157A1 85361-EP2289868A1 85361-EP2289879A1 85361-EP2305808A1 A15180 AB1003550 AB-131/40191192 AC1L18JC AC1Q78TJ AC-2984 ai3-15366 AJ-13874 AK-77323 akos bbs-00003195 AKOS000119184 AN-5046 ANW-18097 BB_NC-2207 BBL010374 BC227835 bdbm50177411 benzaldehyde, 4-hydroxy- benzaldehyde, p-hydroxy- BIDD:ER0339 BP-30158 brn 0471352 C00633 CHEBI:17597 CHEMBL14193 CJ-01542 D00BRD DB-003763 DB03560 DTXSID8059552 EBD2224221 einecs 204-599-1 F2190-0635 fema 3984 FR-0985 H-3800 I01-4445 JSP001553 KSC174M1B LS-25060 M-6067 mfcd00006939 MOLPORT-000-871-206 NCGC00188243-01 NCGC00188243-02 nsc 2127 nsc2127 nsc-2127 o1738x3y38 parahydroxybenzaldehyde para-hydroxybenzaldehyde p-formylphenol PHBA p-hydroxibezaldehyde p-hydroxy benzaldehyde p-hydroxybenzaldehyde p-hydroxy-benzaldehyde p-Hydroxybenzaldehyde, Pract. p-hydroxybenzaldehye p-hydroxyl benzaldehyde p-oxybenzaldehyde PS-3635 RGHHSNMVTDWUBI-UHFFFAOYSA-N RP19453 RP19456 RTC-063918 SC-00631 SCHEMBL37193 ST2411465 STK188428 STR00705 TC-063918 TL8000617 TRA0098642 usaf m-6 wln: vhr dq ZB006430 ZINC156709

Inchi
InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
InChkey
RGHHSNMVTDWUBI-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC=C1C=O)O
Properties
Appearance
yellow to light brown crystalline powder
Density
1.129
Melting Point
114-118℃
Boiling Point
246.6 °C at 760 mmHg
Vapour
0.0171mmHg at 25°C
Refractive Index
1.57055 (130 C)
Flash Point
101.3 °C
Solubility
13 g/L (30 °C) in water
Color/Form
light yellow to light brown
Other physical and chemical properties
Solid
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
HS Code
29124900
Storage temp
Store at 2-8°C
Safety and Handling
Hazard Codes
Xi
Risk Statements
R36/37/38
Safety Statements
S24/25
Safety

Hazard Codes:?IrritantXi
Risk Statements: 36/37/38?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-24/25-37/39?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36:Wear suitable protective clothing.?
S24/25:Avoid contact with skin and eyes.?
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 2
RTECS: CU6475000
Hazard Note: Irritant/Air Sensitive
HS Code: 29124900
Moderately toxic by intraperitoneal route. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.

Toxicity
1. ???

sce-hmn:lym 1?mmol/L

??? MUREAV ?? Mutation Research. 206 (1988),17.
2. ???

ipr-mus LD50:500?mg/kg

??? NTIS** ?? National Technical Information Service . (Springfield, VA 22161)(Formerly U.S. Clearinghouse for Scientific and Technical Information) AD277-689 .
PackingGroup
I; II; III
Sensitive
Air Sensitive
Transport
25kgs
Specification

?p-Hydroxybenzaldehyde (CAS NO.123-08-0) is also named as 4-Formylphenol ; 4-Hydroxybenzaldehyde ; AI3-15366 ; BRN 0471352 ; CCRIS 8911 ; NSC 2127 ; Parahydroxybenzaldehyde ; UNII-O1738X3Y38 ; USAF M-6 ; p-Formylphenol ; p-Oxybenzaldehyde .?p-Hydroxybenzaldehyde (CAS NO.123-08-0) is yellow to light brown crystalline powder?with aromatic odor.

Report

Reported in EPA TSCA Inventory.

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:122.123g/mol
  • Molecular Formula:C7H6O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.4
  • Exact Mass:122.037
  • Monoisotopic Mass:122.037
  • Complexity:93.1
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.3A^2
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBgMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASgmAIwBoAAAgCI AihSgAACAAAkIAAIiAEGCMgIJjKCFRKAcQAkwBEImYeIzADOIAAAAAAAAABAAAAAAAAAAAAAAAAA AA==
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