Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Laboratory Chemicals
NSC 348242 structure
NSC 348242 structure

NSC 348242

Iupac Name:piperidin-1-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
CAS No.: 938043-31-3
Molecular Weight:350.26074
Modify Date.: 2022-02-12 01:24
1. Names and Identifiers
1.1 Name
NSC 348242
1.2 Synonyms

alpha-Cyclopropyl-alpha-[1-(hydroxymethyl)cyclopropyl]-1,1-cyclopropanedimethanol NSC 348242

1.3 CAS No.
938043-31-3
1.4 CID
16218322
1.5 Molecular Formula
C23H8Br8N4O2 (isomer)
1.6 Inchi
InChI=1S/C18H26BNO3/c1-17(2)18(3,4)23-19(22-17)15-10-8-14(9-11-15)16(21)20-12-6-5-7-13-20/h8-11H,5-7,12-13H2,1-4H3
1.7 InChkey
YOXMAOLZXRIELZ-UHFFFAOYSA-N
1.8 Canonical Smiles
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)N3CCCCC3
1.9 Isomers Smiles
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)N3CCCCC3
2. Properties
3.1 Density
1.276
3.1 Melting point
137-141 °C
3.1 Boiling point
185.9°C at 760 mmHg
3.1 Precise Quality
315.20100
3.1 PSA
38.77000
3.1 logP
2.54980
3.1 Solubility
略溶 (13 g/L) (25 oC),
3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Acute toxicity - Inhalation, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H312 Harmful in contact with skin

H332 Harmful if inhaled

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

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

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/…if you feel unwell.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

4. Computational chemical data
  • Molecular Weight: 350.26074g/mol
  • Molecular Formula: C23H8Br8N4O2
  • Compound Is Canonicalized: True
  • XLogP3-AA:
  • Exact Mass: 315.2005739
  • Monoisotopic Mass: 315.2005739
  • Complexity: 422
  • Rotatable Bond Count: 2
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Topological Polar Surface Area: 38.8
  • Heavy Atom Count: 23
  • 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
5. Recommended Suppliers
Global3SuppliersView all >>
  • Products:Shanghai Forever Synthesis Co.,Ltd. is a professional chemical supplier for API, intermediates, fine chemicals, and customized synthesis.
  • Tel:86-21-61124658
4-(Piperidine-1-carbonyl)phenylboronic acid, pinacol ester
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/06/12
Inquire
  • Products:Shanghai Hope Chem Co., Ltd. was founded in 2014 with registered capital of RMB 2 million Yuan.
  • Tel:86-21-61723543
4-(Piperidine-1-carbonyl)phenylboronic acid pinacol ester
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2018/11/21
Inquire
  • Tel:919 321 8594
4-(PIPERIDINE)CARBOXAMIDOPHENYLBORONIC ACID, PINACOL ESTER
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/11/25
Inquire