2,5-Dibromoadipic acid

HCID 99860
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Basic information

CAS
3479-85-4
Standard SMILES
O=C(O)C(Br)CCC(Br)C(=O)O
InChIKey
KABAKEOYQZKPBA-UHFFFAOYSA-N
Molecular formula
C6H8Br2O4
Average molar mass
303.93 g/mol
Monoisotopic mass
301.87893294

Names & identifiers

Preferred name
2,5-Dibromoadipic acid
IUPAC
2,5-dibromohexanedioic acid
English name
2,5-Dibromoadipic acid
Molecular formula
C6H8Br2O4
Molecular weight
303.93

Names & synonyms

3479-85-42,5-Dibromoadipic acidEINECS 222-457-7NSC 243606RefChem:82772222-457-72,5-dibromohexanedioic acidMFCD00046516C6H8Br2O4(+)-2,5-Dibromohexanedioic acidNSC2436062,5-dibromohexanedioicacid
Show more names
2,2'-DIBROMO ADIPIC ACIDHexanedioic acid, 2,5-dibromo-
SCHEMBL2776377DTXSID00956270AKOS015833931NSC-243606AS-75656SY192453EN300-85360D94965

Database identifiers

CAS
3479-85-4
PubChem CID
99860
DTXSID
DTXSID00956270
EC Number
222-457-7
Nikkaji
J79.808H、J81.743K、J81.792I

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
74.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
12

Physicochemical properties

Melting point
188 °C · 188°C
Boiling point
395.4 · 395.4±42.0 °C(Predicted)
Density
2.111 · 2.111±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka
2.45 · 2.45±0.23(Predicted)
Symbol(GHS)
5 · GHS05,GHS07

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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. 4 (100%)

Safety data

Signal word
Danger
Symbol(GHS)
GHS05,GHS07
hazard_code
Xi
hazard_class
IRRITANT
Hazard statements
H302-H314-H318-H335
Precautionary statements
P260-P264-P270-P271-P280-P301+P312-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P403+P233-P405-P501

Chemistry & industry

Suppliers24 total

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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