CAS 144173-85-3 5-(Tributylstannyl)pyrimidine (HCID 2763249)

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Basic information

CAS: 144173-85-3
Standard SMILES: CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cncnc1
InChIKey: QRDQHTJNKPXXRQ-UHFFFAOYSA-N
Molecular formula: C16H30N2Sn
Average molar mass: 369.1 g/mol
Monoisotopic mass: 370.14309366

Names & identifiers

Preferred name: 5-(Tributylstannyl)pyrimidine
IUPAC: tributyl(pyrimidin-5-yl)stannane
English name: 5-(TRIBUTYLSTANNYL)PYRIMIDINE
Molecular formula: C16H30N2Sn
Molecular weight: 369.13

Names & synonyms

5-(Tributylstannyl)pyrimidine144173-85-3DTXSID90376842RefChem:300707DTXCID50327870677-923-6Pyrimidine, 5-(tributylstannyl)-tributyl(pyrimidin-5-yl)stannane5-(tri-n-butylstannyl)pyrimidine5-tributylstannylpyrimidine5-tributylstannanyl-pyrimidineSCHEMBL155502

Show more names

SKL10115-(tributyltin) pyrimidine5-(tributylstannanyl)pyrimidine5-(Tri-n-butylstannyl)pyrimidine,96%5-(Tributylstannyl)pyrimidine - [T2241]

tri-n-butyl(5-pyrimidinyl)tin5-(tri-butylstannyl)pyrimidineQRDQHTJNKPXXRQ-UHFFFAOYSA-N(5-Pyrimidinyl)tri-n-butylstannane5-(Tributylstannyl)pyrimidine, 95%AKOS015839576GS-6463DB-003518

Database identifiers

CAS: 144173-85-3
PubChem CID: 2763249
DTXSID: DTXSID90376842
EC Number: 677-923-6
Nikkaji: J1.584.514G

Properties

Computed structural properties

Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 10
Heavy atoms: 19
Formal charge: 0
Complexity: 193

Physicochemical properties

Boiling point: 134 · 134-138℃ (2 MMHG)
Density: 1.117 · 1.117
refractive index: 1.515 · 1.515
Flash point: 110 ℃ · 110℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 1.79 · 1.79±0.10(Predicted)
form: liquid
Appearance: Light yellow to yellow Liquid
InChI: 1S/C4H3N2.3C4H9.Sn/c1-2-5-4-6-3-1;3*1-3-4-2;/h2-4H;3*1,3-4H2,2H3;
InChIKey: QRDQHTJNKPXXRQ-UHFFFAOYSA-N
SMILES: CCCC[Sn](CCCC)(CCCC)c1cncnc1
CAS DataBase Reference: 144173 · 144173-85-3
UNSPSC Code: 12352103 · 12352103
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06,GHS08,GHS09
Signal word: Danger
Hazard statements

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P264+P265, P270, P273, P280, P301+P316, P302+P352, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

wgk: 3
ridadr: UN 2788
hs_code: 29335990
risk_code: 21-25-36/38-48/23/25-50/53
Signal word: Danger
Symbol(GHS): GHS06,GHS08,GHS09
hazard_code: T,N
safety_code: 35-36/37/39-45-60-61
hazard_class: 6.1
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H301-H312-H315-H319-H360FD-H372-H410
Hazard Classifications: Acute Tox. 3 OralAcute Tox. 4 DermalAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Repr. 1BSkin Irrit. 2STOT RE 1
Precautionary statements: P202-P273-P280-P301+P310-P302+P352+P312-P305+P351+P338