Product Code
F571338
CAS
2125661-54-1
Butyne-DOTA-tris(t-butyl ester)
CAS 2125661-54-1 | Product Code F571338
Details
Chemical Properties
Hazards
Transport
Documentation
Product Code
F571338
CAS Number
2125661-54-1
IUPAC
tert-butyl 2-[4-[2-(but-3-ynylamino)-2-oxoethyl]-7,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
Canonical Smiles
CC(C)(C)OC(=O)CN1CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)NCCC#C)CCN(CC(=O)OC(C)(C)C)CC1
InChI
InChI=1S/C32H57N5O7/c1-11-12-13-33-26(38)22-34-14-16-35(23-27(39)42-30(2,3)4)18-20-37(25-29(41)44-32(8,9)10)21-19-36(17-15-34)24-28(40)43-31(5,6)7/h1H,12-25H2,2-10H3,(H,33,38)
InChI Key
CHJMQUJLWJFDPZ-UHFFFAOYSA-N
UNSPSC Code
12352000
SKU
F571338
Purity
98%
Molecular Weight
623.43
Logp
1.37
H Bond Acceptors
11
H Bond Donors
1
Fsp3
0.81
SDS Documents
Pictograms
GHS07: Harmful/Irritant
Signal Word
Warning
Hazard Statements
- H302 – Harmful if swallowed.
- H315 – Causes skin irritation.
- H319 – Causes serious eye irritation.
- H335 – May cause respiratory irritation.
Precautionary Phrases
- P101 – If medical advice is needed, have product container or label at hand.
- P260 – Do not breathe dust/fume/gas/mist/vapours/spray.
- P264 – Wash hands thoroughly after handling.
- P270 – Do not eat, drink or smoke when using this product.
- P271 – Use only outdoors or in a well-ventilated area.
- P280 – Wear protective gloves/protective clothing and eye/face protection.
- P301+P310 – IF SWALLOWED: Immediately call a POISON CENTER/doctor.
- P301+P330+P331 – IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
- P303+P361+P353 – IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water.
- P304+P340 – IF INHALED: Remove person to fresh air and keep comfortable for breathing.
- P305+P351+P338 – IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P321 – Specific treatment (see Section 4 on this SDS).
- P362+P364 – Take off contaminated clothing and wash it before reuse.
- P403+P233 – Store in a well-ventilated place. Keep container tightly closed.
- P405 – Store locked up.
- P501 – Dispose of contents/container to hazardous waste disposal.
Shipping Name
Non Hazardous For Transport
Download Certificate of Analysis
Related Products

