HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

Chromocene

HCID 79154
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
1271-24-5
Standard SMILES
[Cr+2].c1cc[cH-]c1.c1cc[cH-]c1
InChIKey
TYYBBNOTQFVVKN-UHFFFAOYSA-N
Molecular formula
C10H10Cr
Average molar mass
182.18 g/mol
Monoisotopic mass
182.018755

Overview

Bis(cyclopentadienyl)chromium appears as red needles or reddish-purple solid. (NTP, 1992)

Names & identifiers

Preferred name
Chromocene
IUPAC
chromium(2+);bis(cyclopenta-1,3-diene)
English name
Chromocene
Molecular formula
C10H10Cr
Molecular weight
182.18

Names & synonyms

ChromoceneBis(cyclopentadienyl)chromiumBis(cyclopentadiene)chromium(II)CCRIS 5974FI251W8B1LDTXSID7024615EINECS 215-036-4Di((eta-5)-cyclopentadienyl)chromiumUNII-FI251W8B1LDTXCID904615Bis(eta5-cyclopenta-2,4-dien-1-yl)chromiumBis(eta(5)-2,4-cyclopentadien-1-yl) chromium
Show more names
Chromocene,95%Bis(cyclopentadienyl)chromdicyclopentadienyl-chromiudicyclopentadienylchromiumbis(cyclopentadiene)chromiumBis(cyclopentadienyl)cadmiumdi-pi-cyclopentadienyl-chromiuChromocene ISO 9001:2015 REACH
RefChem:125903Chromium, bis(eta(5)-2,4-cyclopentadien-1-yl)bis(eta-Cyclopentadienyl) chromiumbis(eta5-Cyclopentadienyl) chromiumbis(.eta.-Cyclopentadienyl) chromiumDI-PI-CYCLOPENTADIENYLCHROMIUMBIS(CYCLOPENTADIENE)CHROMIUM IIBIS(CYCLOPENTADIENYL)CHROMIUM II

Database identifiers

CAS
1271-24-5

Properties

Computed structural properties

Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
11
Formal charge
0
Complexity
11.6

Experimental & physicochemical properties

SolubilityDecomposes (NTP, 1992)
Boiling Point167 to 194 °F at 760 mmHg under vacuum (sublimes) (NTP, 1992)
Melting Point343 °F (NTP, 1992)
Physical DescriptionBis(cyclopentadienyl)chromium appears as red needles or reddish-purple solid. (NTP, 1992)

Physicochemical properties

Melting point
168 · 168-170 °C(lit.)
storage temp.
30 °C · Store below +30°C.
form
crystal
color
scarlet
Water Solubility
Insoluble in water.
Sensitive
Air & Moisture Sensitive
InChI
1S/2C5H5.Cr/c2*1-2-4-5-3-1;/h2*1-5H;
InChIKey
OXPNGPODCRFNTM-UHFFFAOYSA-N
SMILES
[Cr].[CH]1[CH][CH][CH][CH]1.[CH]2[CH][CH][CH][CH]2

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 101 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Chromocene
DOT LabelFlammable Solid
Fire HazardsLiterature sources indicate that this chemical is flammable. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 133 [Flammable Solids]:
Reactive GroupOrganometallics
Reactivity AlertsKnown Catalytic Activity
Reactivity ProfileBIS(CYCLOPENTADIENYL)CHROMIUM reacts with water and alcohols. (NTP, 1992). Its reaction with alcohols produces pyrophoric metal alkoxides (dialkoxychromium and cyclopentadiene).
Air and Water ReactionsThis compound is very sensitive to exposure to air and moisture (decomposition is not vigorous). Decomposes in water (NTP, 1992).

Chemistry & industry

Pharmacology

Metabolism/Metabolites · 1 item

Chromium is absorbed from oral, inhalation, or dermal exposure and distributes to nearly all tissues, with the highest concentrations found in kidney and liver. Bone is also a major storage site and may contribute to long-term retention. Hexavalent chromium's similarity to sulfate and chromate allow it to be transported into cells via sulfate transport mechanisms. Inside the cell, hexavalent chromium is reduced first to pentavalent chromium, then to trivalent chromium by many substances including ascorbate, glutathione, and nicotinamide adenine dinucleotide. Chromium is almost entirely excreted with the urine. (A12, L16)

Uses & manufacturing

UsesChromocene is used as a catalyst. (L526)
General Manufacturing InformationChromocene: ACTIVE

Applications

UsesProvides catalyst for ethylene polymerization. A precursor to other chromium(II) compounds.

General DescriptionRed needles or reddish-purple solid.

Upstream & downstream products

Upstream raw materials

DicyclopentadieneTolueneSodiumTetrahydrofuranChromium(III) chlorideNULL1,3-Cyclopentadiene

Related reactions

2 records
New reaction record
HRID 866661 reaction equation
HRID 866661As productuspto-grants-1978_07
HRID 1678838 reaction equation
HRID 1678838As productuspto-grants-1978_03

Compound notes

Loading…

On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
PubChem CID
79154
UNII
FI251W8B1L
EC Number
215-036-4
EWG's Food Scores
1 · 1
FDA UNII
251 W8B1L · FI251W8B1L
NIST Chemistry Reference
Bis(«eta»5-cyclopentadienyl) chromium(1271-24-5)
EPA Substance Registry System
Chromocene (1271-24-5)
UNSPSC Code
12161600 · 12161600
NACRES
22 · NA.22
Symbol(GHS)
5 · GHS05,GHS07
Signal word
Danger
Hazard statements
302 · H302+H312+H332-H314-H317
Precautionary statements
260 · P260-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
PPE
95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes
Xn,Xi
Risk Statements
20 · 20/21/22-36/37/38
Safety Statements
26 · 26-37/39
RIDADR
1325 · 1325
WGK Germany
3 · 3
RTECS
7600000 · GB7600000
TSCA
TSCA listed
HazardClass
4.2 · 4.2
PackingGroup
I
HS Code
29319090 · 29319090
Storage Class
8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications
4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Skin Corr. 1ASkin Sens. 1
Hazard Classes and Categories
Acute Tox. 4 (95%)

Safety & protection

Fire FightingFires involving this compound can be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 133 [Flammable Solids]:
Personal Protective Equipment (PPE) · 1 item

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Immediately Dangerous to Life or Health (IDLH)250 mg Cr(II)/m3 (NIOSH, 2024)

Toxicology

TreatmentThere is no know antidote for chromium poisoning. Exposure is usually handled with symptomatic treatment. (L16)
Health EffectsChromium in its trivalent state is not very toxic. It may be oxidized to hexavalent chromium, a known carcinogen. Hexavalent chromium has also been shown to affect reproduction and development. (A12)
Exposure RoutesOral (L16) ; inhalation (L16) ; dermal (L16)
Toxicity Summary · 1 item

Trivalent chromium may also form complexes with peptides, proteins, and DNA, resulting in DNA-protein crosslinks, DNA strand breaks, DNA-DNA interstrand crosslinks, chromium-DNA adducts, chromosomal aberrations and alterations in cellular signaling pathways. It has been shown to induce carcinogenesis by overstimulating cellular regulatory pathways and increasing peroxide levels by activating certain mitogen-activated protein kinases. It can also cause transcriptional repression by cross-linking histone deacetylase 1-DNA methyltransferase 1 complexes to CYP1A1 promoter chromatin, inhibiting histone modification. Chromium may increase its own toxicity by modifying metal regulatory transcription factor 1, causing the inhibition of zinc-induced metallothionein transcription. (A12, L16, A34, A35, A36)

Signs and Symptoms · 1 item

Chromium in its trivalent state is not very toxic, but it may be oxidized to hexavalent chromium. Breathing hexavalent chromium can cause irritation to the lining of the nose, nose ulcers, runny nose, and breathing problems, such as asthma, cough, shortness of breath, or wheezing. Ingestion of hexavalent chromium causes irritation and ulcers in the stomach and small intestine, as well as anemia. Skin contact can cause skin ulcers. (L16)

Carcinogen ClassificationNo indication of carcinogenicity (not listed by IARC). (L135)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
rtecs
GB7600000
ridadr
1325
hs_code
29319090
risk_code
20/21/22-36/37/38
Signal word
Danger
Symbol(GHS)
GHS05,GHS07
hazard_code
Xn,Xi
safety_code
26-37/39
hazard_class
4.2
Storage Class
8A - Combustible corrosive hazardous materials
packing_group
I
Hazard statements
H302+H312+H332-H314-H317
Hazard Classifications
Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Skin Corr. 1ASkin Sens. 1
Precautionary statements
P260-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338

Suppliers56 total

山东玖玥生物科技有限公司15553333686 · [email protected]
上海源象化学有限公司17312431727 · [email protected]
Hangzhou Collab Medicine Co.,Ltd.+86-15936229464 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Hangzhou Pharma & Chem Co., Ltd.+86-0571-87040515 +8613958180668 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Aladdin Scientific[email protected]
天津中信凯泰化工有限公司022-66880623 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
Hunan russell chemicals technology co ltd731-88557738 13739093081 · [email protected]
上海茵凯化学科技有限公司021-57603038 13601791340;13818007232 · [email protected]
南京毕科生物科技有限公司025-58906079 15151970915 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
西安美川生物科技有限公司029-89275612 +8618991951683 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
格莱斯兰德(天津)医药科技有限公司022-83705301 13752403750 · [email protected]
安泰精细化工技术有限公司18503026267 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
山东小野化学股份有限公司0539-6362799 20)
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
武汉弘德悦欣医药科技有限公司027-83850116 18164090116 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
Capot Chemical Co.,Ltd.+86-(0)57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
安徽敦茂新材料科技有限公司13275595566; 13275595566 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
天津中信凯泰化工有限公司86-22-66880623 +8618622897568 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
陕西缔都医药化工有限公司029-88380327 17691182729 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
重庆博涛生物科技有限公司15223382610 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
湖北拓邦化工有限公司027-59106185 13986192185 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
湖北恒捷化工有限公司15623078521; 15623078521 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]