CAS 37971-36-1 2-Phosphonobutane-1,2,4-tricarboxylic acid (HCID 61973)

개요

dental plaque crystal growth inhibitor; RN given for parent cpd; structure given in first source

이름 및 식별자

우선 이름: 2-Phosphonobutane-1,2,4-tricarboxylic acid
IUPAC: 2-phosphonobutane-1,2,4-tricarboxylic acid
현지명: 2-포스포노-1,2,4-부탄트리카복실산
영어명: 2-Phosphonobutane-1,2,4-tricarboxylic acid
분자식: C7H11O9P
분자량: 270.13

이름 및 동의어

2-PHOSPHONOBUTANE-1,2,4-TRICARBOXYLIC ACID37971-36-12-Phosphono-1,2,4-butanetricarboxylic acid1,2,4-Butanetricarboxylic acid, 2-phosphono-phosphonobutanetricarboxylic acidBAYHIBIT AMPBTAPBTC tricarboxylic acid306P37319LDTXSID4027999RefChem:478251DTXCID807999

이름 더 보기

2-포스포노-1,2,4-부탄트리카복실산피비티씨포스포노부탄트라이카복실릭애씨드2-포스포노-1,2,4-부탄트리카복실산(2-PHOSPHONO-1,2,4-BUTANETRICARBOXYLIC...1,2,3-뷰테인트라이카복실산, 2-포스포노트라이뷰틸1,2,4-부탄트라이카르복실산, 2-포스포노-1,2,4-뷰테인트라이카복실산, 2-포스포노-1,2,4-트라이카복시-sec-뷰틸포스폰산2-포스포노-1,2,4-부탄카르복실산2-포스포노-1,2,4-뷰테인트라이카복실산2-포스포노뷰테인-1,2,4-트라이카복실산2-포스포노뷰테인-1,2,4-트라이카본산2-포스포노트라이카복시뷰틸 포스페이트2-포스포뷰테인-1,2,4-트라이카복실산뷰테인-1,2,4-트라이카복실산, 2-포스포노-포스포노부탄트라이카르복실산PBTCAPBTC 47~53%2-Phosphonobutane-1scale inhibitor PBTCAReverse Osmosis Antiscalant2-Phosphonobutane-1,2,4-TricarboxyL2-Phosphonobutan-1,2,4-tricarbonsure2-phosphono-1,2,4-butanetricarboxylic

253-733-5PBTC2-Phosophonobutane-1,2,4-tricarboxylic acid2-Phosphonobutane-1,2,4-tricarbonic acidMFCD019407533-Carboxy-3-phosphonohexanedioic AcidC7H11O9PEINECS 253-733-5

데이터베이스 식별자

CAS: 37971-36-1
PubChem CID: 61973
DTXSID: DTXSID4027999
UNII: 306P37319L
EC Number: 253-733-5
Nikkaji: J261.277A

물성

구조 계산 물성

XLogP: -2.8
극성 표면적: 169 Å²
수소 결합 공여자 수: 5
수소 결합 수용자 수: 9
회전 가능 결합 수: 7
무거운 원자 수: 17
형식 전하: 0
복잡도: 383

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Organophosphates, Other

Physical Description · 2건

Liquid

Produced as a solid; Available as aqeous solution; [eChemPortal: SIDSUNEP] Dark straw-colored liquid; [MSDSonline]

물리화학적 성질

녹는점: -15 °C · -15 °C
끓는 점: 545.2 · 545.2±60.0 °C(Predicted)
밀도: 1.25 · 1.25 (50% aq.)
증기압: 0 Pa · 0Pa at 25℃
굴절률: 1.579 · 1.579
용해도: Completely miscible in water
물리적 상태: 투명한 액체
산도 계수 (pKa): 1.14 · 1.14±0.10(Predicted)
색상: 무색~연황색
수용성: 909 g/L · 909g/L at 20℃
화장품 원료 기능: 버퍼링부식 방지킬레이팅
InChI: InChI=1S/C7H11O9P/c8-4(9)1-2-7(6(12)13,3-5(10)11)17(14,15)16/h1-3H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16)
InChIKey: SZHQPBJEOCHCKM-UHFFFAOYSA-N
SMILES: C(C(O)=O)C(P(O)(O)=O)(C(O)=O)CCC(O)=O
LogP: -1.66 at · -1.66 at 25℃
EPA: 2 · 2-Phosphono-1,2,4-butanetricarboxylic acid (37971-36-1)

화학적 성질 · 1건

2-Phosphonobutane-1,2,4-tricarboxylic acid (PBTC)is colorless or light yellow transparent liquid. Relative density (20°C) 1.275. Freezing point -15°C. Has excellent scale and corrosion inhibition properties. Acid resistance, alkali resistance, oxidant resistance. When pH>14, it still does not hydrolyze, and the thermal stability is good.

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.7% (7 of 261) of reports.

Danger

H290 (46.4%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 261 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: 1,2,4-Butanetricarboxylic acid, 2-phosphono-

1,2,4-Butanetricarboxylic acid, 2-phosphono- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2,4-Butanetricarboxylic acid, 2-phosphono- 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)

REACH registered substance: 2-phosphonobutane-1,2,4-tricarboxylic acid (EC: 253-733-5)

1,2,4-Butanetricarboxylic acid, 2-phosphono-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCorrosive to skin and eyes; [eChemPortal: ERMA] An eye irritant; [MSDSonline] The commercial product is a solution that is not irritating to the skin or eyes. [AIHA]

Hazard Classes and CategoriesMet. Corr. 1 (46.4%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

tsca: TSCA listed
ridadr: UN 3265
HS 번호: 2931.90.9051
risk_code: 34
hazard_code: Xi;Xn,Xn,Xi
safety_code: 26-45
포장분류: III
위험 등급: 8
기존화학 물질: KE-28503

화학 및 산업

용도 및 제조

Uses · 2건

Used as additive to cooling water (anti-scaling agent) and to industrial cleaning/bleaching agents (food processing and textile industries); [eChemPortal: SIDSUNEP]

Textiles (Fiber & Fabric Manufacturing) [Category: Industry]

U.S. Production2023: 1,000,000 - <2,500,000 lb

Consumer UsesAnti-adhesive/cohesive

Industry UsesAnti-scaling agent

Household ProductsInformation on 9 consumer products that contain Phosphonobutanetricarboxylic Acid in the following categories is provided:

General Manufacturing Information · 2건

Services

1,2,4-Butanetricarboxylic acid, 2-phosphono-: ACTIVE

상·하류 제품 정보

상류 원료

공급사100 곳

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]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

화합물 노트

불러오는 중…

2-포스포노-1,2,4-부탄트리카복실산

기본 정보

개요