Hexane, 1,2-dibromo-

HCID 102451
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Basic information

CAS
624-20-4
Standard SMILES
CCCCC(Br)CBr
InChIKey
NUUUANNAZVEWHM-UHFFFAOYSA-N
Molecular formula
C6H12Br2
Average molar mass
243.97 g/mol
Monoisotopic mass
241.93058

Names & identifiers

Preferred name
Hexane, 1,2-dibromo-
IUPAC
1,2-dibromohexane
English name
1,2-Dibromohexane
Molecular formula
C6H12Br2
Molecular weight
243.97

Names & synonyms

1,2-Dibromohexane624-20-4Hexane, 1,2-dibromo-DTXSID40883511RefChem:146111DTXCID001023039613-031-5NUUUANNAZVEWHM-UHFFFAOYSA-N1,2-dibromo-hexaneMFCD002393461,2-Dibromohexane, 98%SCHEMBL95808
Show more names
1,2-Dbromohexane1,2-dibromo-hexan1,2-DIBROMOHEXANE, 97+%1-(4-cyclohexylphenyl)-2-(dibutylamino)ethanol
SCHEMBL597769SCHEMBL623787SCHEMBL7871159AKOS015913228AS-76895SY357027CS-0297339NS00123887

Database identifiers

CAS
624-20-4
PubChem CID
102451
DTXSID
DTXSID40883511
EC Number
613-031-5
Nikkaji
J79.762F

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
4
Heavy atoms
8

Experimental & physicochemical properties

Kovats Retention Index · 2 items

1135

1129

Physicochemical properties

Boiling point
89 · 89-90 °C/18 mmHg (lit.)
Density
1.577 g/mL · 1.577 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.503(lit.)
Flash point
230 °F · >230 °F
InChI
1S/C6H12Br2/c1-2-3-4-6(8)5-7/h6H,2-5H2,1H3
InChIKey
NUUUANNAZVEWHM-UHFFFAOYSA-N

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 39 reports by companies from 2 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 InformationHexane, 1,2-dibromo-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Regulatory information

Regulatory InformationHexane, 1,2-dibromo-: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
hs_code
29049095
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationHexane, 1,2-dibromo-: INACTIVE

Suppliers24 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

Related reactions

13 records
New reaction record

Compound notes

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