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Home> Hot Product Listed 4   > 4-methoxy-1H-indazole
315-37-7 structure

4-methoxy-1H-indazole

CAS No.:315-37-7
Molecular Weight:400.594
Molecular Formula:C6H5BFNO4 (isomer)
Names and Identifiers
Synonyms

1h-indazole, 4-methoxy- 4CH-002147 4-METHOXY (1H)INDAZOLE 4-methoxy indazole 4-methoxy-indazole A15514 AB0024407 AC-25683 acm351210065 AJ-66478 ak-32142 AKOS005146400 AKOS024124786 AX8098318 bdbm50099404 chembl15932 CJ-14872 CM-2126 DB-026244 DTXSID20646702 fch867800 GS-3945 HE032124 I10-0516 mfcd09261131 MOLPORT-009-198-992 RHXWAMSYANZWMS-UHFFFAOYSA-N RP01579 S-6046 SCHEMBL18003761 SCHEMBL3471094 ST1100626 SY020405 TC-061750 TRA0053604 ZINC14985952 zx-rl001838

Inchi
InChI=1/C26H40O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h17,20-23H,4-16H2,1-3H3/t20-,21-,22-,23-,25-,26-/m0/s1
InChkey
VOCBWIIFXDYGNZ-ZWJJGLRPSA-N
Canonical Smiles
CCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
Isomers Smiles
CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
Properties
Density
1.26
Melting Point
34-39℃
Boiling Point
366.6 °C at 760 mmHg
Flash Point
180.2 °C
Alpha
77 o
Safety and Handling
Risk Statements
45-63
Safety Statements
S22;S45;S53;S36;S37;S39
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 315-37-7 EC: 4-methoxy-1H-indazole ·ECHA C&L Inventory for CAS: CAS: 315-37-7 EC: 4-methoxy-1H-indazole
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Carcinogenicity, Category 1B

Reproductive toxicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H350 May cause cancer

H361 Suspected of damaging fertility or the unborn child

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:400.594g/mol
  • Molecular Formula:C6H5BFNO4
  • XLogP3-AA:6.3
  • Exact Mass:400.297745
  • Monoisotopic Mass:400.297745
  • Complexity:679
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:43.4
  • Heavy Atom Count:29
  • Defined Atom Stereocenter Count:6
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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