Benzyl carbazate

HCID 79242
NotesReactions
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Basic information

CAS
5331-43-1
Standard SMILES
NNC(=O)OCc1ccccc1
InChIKey
RXUBZLMIGSAPEJ-UHFFFAOYSA-N
Molecular formula
C8H10N2O2
Average molar mass
166.18 g/mol
Monoisotopic mass
166.07422757

Names & identifiers

Preferred name
Benzyl carbazate
IUPAC
benzyl N-aminocarbamate
English name
Carbobenzoxyhydrazide
Molecular formula
C8H10N2O2
Molecular weight
166.18

Names & synonyms

Benzyl carbazate5331-43-1Benzyl hydrazinecarboxylateCarbobenzoxyhydrazideHydrazinecarboxylic acid, phenylmethyl esterCarbazic acid, benzyl esterBenzyloxycarbonyl hydrazide((Benzyloxy)carbonyl)hydrazineHydrazinecarboxylic acid benzyl estercarbobenzyloxyhydrazineDTXSID1047447NSC 2287
Show more names
Benzyl carbazate 97%benzyl N-aminocarbamatePhenylmethyl N-aminocarbamateBzNNZ-NHNH2Z-HYDRAZIDE
EINECS 226-230-3H7GM2H55TCNSC-2287Benzyl hydrazinocarboxylatePhenylmethyl hydrazinecarboxylateDTXCID9027447HYDRAZINCARBOXYLIC ACID BENZYL ESTER[(Benzyloxy)carbonyl]hydrazine

Database identifiers

CAS
5331-43-1
PubChem CID
79242
DTXSID
DTXSID1047447
ChEMBL
CHEMBL3187376
UNII
H7GM2H55TC
EC Number
226-230-3
Nikkaji
J298.013D

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
64.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
12

Experimental & physicochemical properties

Physical DescriptionLiquid; CBI

Physicochemical properties

Melting point
65 · 65-68 °C (lit.)
Boiling point
294.38 °C · 294.38°C (rough estimate)
Density
1.2265 · 1.2265 (rough estimate)
refractive index
1.618 · 1.6180 (estimate)
Flash point
230 °F · >230 °F
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (44.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (57%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (43%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H372 (43%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]

P260, P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P305+P354+P338, P317, P319, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 86 reports by companies from 6 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

Regulatory Information · 1 item

Hydrazinecarboxylic acid, phenylmethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hydrazinecarboxylic acid, phenylmethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Hazard Classes and CategoriesAcute Tox. 4 (44.2%)；Eye Dam. 1 (57%)；Eye Irrit. 2 (43%)；STOT RE 1 (43%)

Regulatory information

Regulatory Information · 1 item

Hydrazinecarboxylic acid, phenylmethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hydrazinecarboxylic acid, phenylmethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
rtecs
MV1724950
hs_code
29280000
risk_code
41

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 75,000 - <500,000 lb；2022: 500,000 - <1,000,000 lb；2021: 500,000 - <1,000,000 lb；2020: 75,000 - <500,000 lb
Consumer UsesIntermediate
Industry UsesIntermediate
General Manufacturing Information · 2 items

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

Hydrazinecarboxylic acid, phenylmethyl ester: ACTIVE

Applications · 2 items

UsesBenzyl Carbazate has been shown to prevent the occurrence of oligonucleosome-sized DNA fragmentation in the cell-free system.

UsesBenzyl carbazate is used as a reagent for preparation of benzyloxycarbonyl (Z, Cbz) hydrazides of carboxylic acids, particularly N-protected amino acids. Subsequent hydrogenolysis gives the hydrazide which can be converted to the azide for coupling with a further amino acid residue by the azide method. It is also used in the preparation of simple acyl or sulfonyl hydrazides avoiding diacylation.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

Related reactions

78 records
New reaction record

Compound notes

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