Benzenesulfonic acid, 3-nitro-, (2S)-2-oxiranylmethyl ester

HCID 146490
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Basic information

CAS
115314-14-2
Standard SMILES
O=[N+]([O-])c1cccc(S(=O)(=O)OC[C@@H]2CO2)c1
InChIKey
AIHIHVZYAAMDPM-QMMMGPOBSA-N
Molecular formula
C9H9NO6S
Average molar mass
259.24 g/mol
Monoisotopic mass
259.01505818

Names & identifiers

Preferred name
Benzenesulfonic acid, 3-nitro-, (2S)-2-oxiranylmethyl ester
IUPAC
[(2S)-oxiran-2-yl]methyl 3-nitrobenzenesulfonate
English name
(S)-(+)-Glycidyl nosylate
Molecular formula
C9H9NO6S
Molecular weight
259.24

Names & synonyms

115314-14-2Glycidyl 3-nitrobenzenesulfonate[(2S)-oxiran-2-yl]methyl 3-nitrobenzenesulfonateTH53HZU4D9DTXSID00151046((2S)-Oxiran-2-yl)methyl 3-nitrobenzenesulfonateBenzenesulfonic acid, 3-nitro-, (2S)-2-oxiranylmethyl esterglycidyl 3-NBSRefChem:663602DTXCID5073537(S)-Glycidyl 3-nitrobenzenesulfonate(S)-Oxiran-2-ylmethyl 3-nitrobenzenesulfonate
Show more names
(S)-(+)-Glycidal nosylate(S)-Glycidyl nosylate 98%(S)-(+)-GLYCIDYL-3-NOSYLATE(S)-Glycidyl Nosylate,98%e.e.(S)-(+)-Glycidyl nosylate,98%
(S)-GLYCIDYL NOSYLATE(S)-(+)-Glycidyl nosylateMFCD00064582(S)-(+)-Glycidyl 3-nitrobenzenesulfonate[(2S)-oxiran-2-yl]methyl 3-nitrobenzene-1-sulfonate(2S)-(+)-Glycidyl 3-nitrobenzenesulfonateBenzenesulfonic acid, 3-nitro-, (2S)-oxiranylmethyl esterGlycidyl (S)-(+)-3-nitrobenzenesulfonate

Database identifiers

CAS
115314-14-2
PubChem CID
146490
DTXSID
DTXSID00151046
UNII
TH53HZU4D9
EC Number
621-475-6
Nikkaji
J534.800E

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
110 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
17

Physicochemical properties

Melting point
61 · 61-65 °C
alpha
21.5 · 21.5 º (c=2, CHCl3)
Boiling point
432.2 · 432.2±20.0 °C(Predicted)
Density
1.5881 · 1.5881 (rough estimate)
refractive index
1.527 · 1.5270 (estimate)
storage temp.
2 · Inert atmosphere,2-8°C

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (93.2%)；Skin Irrit. 2 (97.7%)；Eye Irrit. 2 (97.7%)；STOT SE 3 (95.5%)

Safety data

rtecs
DB7192010
ridadr
UN 1325 4.1/PG II
hs_code
29209090
risk_code
36/37/38-5
Signal word
Danger
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Uses(S)-(+)-Glycidyl Nosylate is a compound useful in organic synthesis.

Uses(S)-(+)-Glycidyl Nosylate (cas# 115314-14-2) is a compound useful in organic synthesis.

Upstream & downstream products

Downstream products

Suppliers100 total

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海科利生物医药有限公司13816253073 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]

Related reactions

108 records
New reaction record

Compound notes

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